1.0 2016-09-30 23:18:11 UTC 2020-04-22 15:16:13 UTC BMDB0005767 BMDB05767 Homoanserine L-N-(4-Aminobutyryl)-3-methyl-histidine N-(4-amino-1-Oxobutyl)-3-methyl-L-histidine N-(4-Aminobutyryl)-1-methyl-imidazole-5-alanine (2S)-2-[(4-Amino-1-hydroxybutylidene)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoate C11H18N4O3 254.2856 254.137890462 (2S)-2-(4-aminobutanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid (2S)-2-(4-aminobutanamido)-3-(3-methylimidazol-4-yl)propanoic acid 20314-38-9 CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1 HXBKNURIXGGFCX-VIFPVBQESA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Hybrid peptides Amino acids Azacyclic compounds Carbonyl compounds Carboxylic acids Gamma amino acids and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids N-substituted imidazoles Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Fatty acyl Fatty amide Gamma amino acid or derivatives Heteroaromatic compound Histidine or derivatives Hybrid peptide Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aromatic heteromonocyclic compounds Solid logp -2.78 ALOGPS logs -1.90 ALOGPS logp -4 ChemAxon pka_strongest_acidic 3.52 ChemAxon pka_strongest_basic 9.99 ChemAxon iupac (2S)-2-(4-aminobutanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 254.2856 ChemAxon mono_mass 254.137890462 ChemAxon smiles CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O ChemAxon formula C11H18N4O3 ChemAxon inchi InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1 ChemAxon inchikey HXBKNURIXGGFCX-VIFPVBQESA-N ChemAxon polar_surface_area 110.24 ChemAxon refractivity 65.21 ChemAxon polarizability 26.24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25065 Specdb::CMs 38871 Specdb::CMs 150088 Specdb::NmrOneD 10802 Specdb::NmrOneD 10803 Specdb::NmrOneD 10804 Specdb::NmrOneD 10805 Specdb::NmrOneD 10806 Specdb::NmrOneD 10807 Specdb::NmrOneD 10808 Specdb::NmrOneD 10809 Specdb::NmrOneD 10810 Specdb::NmrOneD 10811 Specdb::NmrOneD 10812 Specdb::NmrOneD 10813 Specdb::NmrOneD 10814 Specdb::NmrOneD 10815 Specdb::NmrOneD 10816 Specdb::NmrOneD 10817 Specdb::NmrOneD 10818 Specdb::NmrOneD 10819 Specdb::NmrOneD 10820 Specdb::NmrOneD 10821 Specdb::MsMs 321541 Specdb::MsMs 321542 Specdb::MsMs 321543 Specdb::MsMs 369193 Specdb::MsMs 369194 Specdb::MsMs 369195 Specdb::MsMs 2335477 Specdb::MsMs 2335478 Specdb::MsMs 2335479 Specdb::MsMs 2627285 Specdb::MsMs 2627286 Specdb::MsMs 2627287 FDB023757 20849429 17216339 172495