1.0 2026-09-22 05:43:26 UTC 2026-09-22 05:43:26 UTC FDB117785 Deoxyspergualin N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxo-ethyl]-7-guanidino-heptanamide N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide C17H37N7O3 387.529 387.295788079 N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1 IDINUJSAMVOPCM-INIZCTEOSA-N belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. N-acyl-alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkanolamines Alpha amino acid amides Carbonyl compounds Carboximidamides Dialkylamines Guanidines Hydrocarbon derivatives Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alkanolamine Alpha-amino acid amide Amine Carbonyl group Carboxamide group Carboximidamide Fatty acyl Fatty amide Guanidine Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-amine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Secondary carboxylic acid amide logp -0.89 ALOGPS logs -3.48 ALOGPS solubility 1.29e-01 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 11.37 ChemAxon pka_strongest_basic 12.28 ChemAxon iupac N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide ChemAxon average_mass 387.529 ChemAxon mono_mass 387.295788079 ChemAxon smiles NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N ChemAxon formula C17H37N7O3 ChemAxon inchi InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1 ChemAxon inchikey IDINUJSAMVOPCM-INIZCTEOSA-N ChemAxon polar_surface_area 178.38 ChemAxon refractivity 115.75 ChemAxon polarizability 44.71 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 8 ChemAxon donor_count 8 ChemAxon physiological_charge 3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26684 Specdb::MsMs 255720 Specdb::MsMs 255721 Specdb::MsMs 255722 Specdb::MsMs 275661 Specdb::MsMs 275662 Specdb::MsMs 275663