2-[4,4-bis(azanyl)butanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[4,4-bis(azanyl)butanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide Openeye Name: 2-(4,4-diaminobutanoylamino)-4-phenyl-butanoic acid; quinoline-3-carboxamide CAS Name: 2-[(4,4-diamino-1-oxobutyl)amino]-4-phenylbutanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(4,4-diaminobutanoylamino)-4-phenylbutanoic acid; quinoline-3-carboxamide Traditional Name: 2-(4,4-diaminobutanoylamino)-4-phenyl-butyric acid; quinoline-3-carboxamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3.C10H8N2O/c15-12(16)8-9-13(18)17-11(14(19)20)7-6-10-4-2-1-3-5-10;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-5,11-12H,6-9,15-16H2,(H,17,18)(H,19,20);1-6H,(H2,11,13)