1.0 2016-09-30 22:40:13 UTC 2020-04-22 15:06:25 UTC BMDB0001038 BMDB01038 Angiotensin IV (3-8)-5-Isoleucine-angiotensin II (Des(asp1,arg2)-ile5)angiotensin II (Ile5)-angiotensin II (3-8) (Isoleucine5)-angiotensin II hexapeptide 1-De-asp-2-de-arg-5-ile-angiotensin II 3-L-Isoleucine-angiotensin IV 5-Isoleucine-angiotensin II 3-8-hexapeptide Huamn angiotensin (3-8) Human angiotensin hexapeptide (3-8) Human angiotensin IV Ile3-angiotensin IV Nle-angiv Val-tyr-ile-his-pro-phe Angiotensin II (3-8) (a)II(3-8) (2S)-2-({[(2S)-1-[(2S)-2-{[(2S,3S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-phenylpropanoate Angiotensin IV C40H54N8O8 774.9056 774.406460744 (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid 12676-15-2 CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 QSBGWDDCOJYQGY-KOQODJNWSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Isoleucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Tyrosine and derivatives Valine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Isoleucine or derivatives Monocarboxylic acid 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 nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Tyrosine or derivatives Valine or derivatives Aromatic heteromonocyclic compounds Solid logp -0.02 ALOGPS logs -4.71 ALOGPS logp -0.69 ChemAxon pka_strongest_acidic 3.6 ChemAxon pka_strongest_basic 8.21 ChemAxon iupac (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid ChemAxon average_mass 774.9056 ChemAxon mono_mass 774.406460744 ChemAxon smiles CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O ChemAxon formula C40H54N8O8 ChemAxon inchi InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1 ChemAxon inchikey QSBGWDDCOJYQGY-KOQODJNWSA-N ChemAxon polar_surface_area 248.94 ChemAxon refractivity 206.05 ChemAxon polarizability 81.13 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 10 ChemAxon donor_count 8 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::CMs 64293 Specdb::CMs 784377 Specdb::CMs 784378 Specdb::CMs 784379 Specdb::CMs 784380 Specdb::CMs 784381 Specdb::CMs 784382 Specdb::CMs 784383 Specdb::CMs 784384 Specdb::CMs 784385 Specdb::CMs 784386 Specdb::CMs 784387 Specdb::CMs 784388 Specdb::CMs 784389 Specdb::CMs 784390 Specdb::CMs 784391 Specdb::CMs 784392 Specdb::MsMs 288178 Specdb::MsMs 288179 Specdb::MsMs 288180 Specdb::MsMs 327208 Specdb::MsMs 327209 Specdb::MsMs 327210 Specdb::MsMs 2304906 Specdb::MsMs 2304907 Specdb::MsMs 2304908 Specdb::MsMs 2657224 Specdb::MsMs 2657225 Specdb::MsMs 2657226 Specdb::NmrOneD 8322 Specdb::NmrOneD 8323 Specdb::NmrOneD 8324 Specdb::NmrOneD 8325 Specdb::NmrOneD 8326 Specdb::NmrOneD 8327 Specdb::NmrOneD 8328 Specdb::NmrOneD 8329 Specdb::NmrOneD 8330 Specdb::NmrOneD 8331 Specdb::NmrOneD 8332 Specdb::NmrOneD 8333 Specdb::NmrOneD 8334 Specdb::NmrOneD 8335 Specdb::NmrOneD 8336 Specdb::NmrOneD 8337 Specdb::NmrOneD 8338 Specdb::NmrOneD 8339 Specdb::NmrOneD 8340 Specdb::NmrOneD 8341 FDB022385 123814 110363 C15849 528953 Angiotensin