1.0 2020-03-10 16:59:33 UTC 2020-04-22 18:55:25 UTC BMDB0095999 BMDB95999 Neurotensin 1-10 Neurotensin (1-10) Neurotensin fragment 1-10 PGlu-leu-tyr-glu-asn-lys-pro-arg-arg-pro (2S)-1-[(2R)-2-{[(2S)-2-({[(2S)-1-[(2R)-6-amino-2-{[(2R)-2-{[(2R)-4-carboxy-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-({hydroxy[(2R)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}butylidene]amino}-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}hexanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamido-1-hydroxypentylidene]amino}-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylate Pyroglutamyl-leucyl-tyrosyl-glutamyl-asparaginyl-lysyl-prolyl-arginy-arginyl-proline C57H90N18O16 1283.4355 1282.678218922 (2S)-1-[(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-4-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2R)-4-methyl-2-{[(2R)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]butanamido]propanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-4-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2R)-4-methyl-2-{[(2R)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]butanamido]propanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m0/s1 HRJVZMYUVJBTHQ-AYDUOSKHSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Organic compounds Organic Polymers Polypeptides Polypeptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Asparagine and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dicarboxylic acids and derivatives Glutamic acid and derivatives Guanidines Hydrocarbon derivatives Lactams Leucine and derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Peptides Phenylalanine and derivatives Primary carboxylic acid amides Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidine carboxylic acids Pyrrolidine-2-ones Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid 2-pyrrolidone Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Asparagine or derivatives Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Fatty acyl Fatty amide Glutamic acid or derivatives Guanidine Hydrocarbon derivative Lactam Leucine or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-acylpyrrolidine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Polypeptide Primary aliphatic amine Primary amine Primary carboxylic acid amide Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Pyrrolidone Secondary carboxylic acid amide Tertiary carboxylic acid amide Tyrosine or derivatives Aromatic heteromonocyclic compounds logp -2.05 ALOGPS logs -4.19 ALOGPS logp -11 ChemAxon pka_strongest_acidic 3.12 ChemAxon pka_strongest_basic 12.19 ChemAxon iupac (2S)-1-[(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-6-amino-2-[(2R)-3-carbamoyl-2-[(2R)-4-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2R)-4-methyl-2-{[(2R)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]butanamido]propanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid ChemAxon average_mass 1283.4355 ChemAxon mono_mass 1282.678218922 ChemAxon smiles CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(O)=O ChemAxon formula C57H90N18O16 ChemAxon inchi InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m0/s1 ChemAxon inchikey HRJVZMYUVJBTHQ-AYDUOSKHSA-N ChemAxon polar_surface_area 561.16 ChemAxon refractivity 342.23 ChemAxon polarizability 132.42 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 23 ChemAxon donor_count 19 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 301498 Specdb::MsMs 301499 Specdb::MsMs 301500 Specdb::MsMs 344029 Specdb::MsMs 344030 Specdb::MsMs 344031 Specdb::MsMs 2736614 Specdb::MsMs 2736615 Specdb::MsMs 2736616 Specdb::MsMs 2969157 Specdb::MsMs 2969158 Specdb::MsMs 2969159 Specdb::NmrOneD 98538 Specdb::NmrOneD 98539 Specdb::NmrOneD 98540 Specdb::NmrOneD 98541 Specdb::NmrOneD 98542 Specdb::NmrOneD 98543 Specdb::NmrOneD 98544 Specdb::NmrOneD 98545 Specdb::NmrOneD 98546 Specdb::NmrOneD 98547 Specdb::NmrOneD 98548 Specdb::NmrOneD 98549 Specdb::NmrOneD 98550 Specdb::NmrOneD 98551 Specdb::NmrOneD 98552 Specdb::NmrOneD 98553 Specdb::NmrOneD 98554 Specdb::NmrOneD 98555 Specdb::NmrOneD 98556 Specdb::NmrOneD 98557 FDB029251 30776680 53481584