2-[2,6-bis(azanyl)hexanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[2,6-bis(azanyl)hexanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide Openeye Name: 2-(2,6-diaminohexanoylamino)-4-phenyl-butanoic acid; quinoline-3-carboxamide CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-4-phenylbutanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(2,6-diaminohexanoylamino)-4-phenylbutanoic acid; quinoline-3-carboxamide Traditional Name: 2-(2,6-diaminohexanoylamino)-4-phenyl-butyric acid; quinoline-3-carboxamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C16H25N3O3.C10H8N2O/c17-11-5-4-8-13(18)15(20)19-14(16(21)22)10-9-12-6-2-1-3-7-12;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-3,6-7,13-14H,4-5,8-11,17-18H2,(H,19,20)(H,21,22);1-6H,(H2,11,13)