2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide Openeye Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-3-phenyl-propanoic acid; quinoline-3-carboxamide CAS Name: 2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-phenylpropanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid; quinoline-3-carboxamide Traditional Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-3-phenyl-propionic acid; quinoline-3-carboxamide Formula: C25H31N7O4 MolecularWeight: 493.55814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

InChI

InChI=1S/C15H23N5O3.C10H8N2O/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19);1-6H,(H2,11,13)