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

Systemtic Name: 2-[2,6-bis(azanyl)hexanoylamino]-4,4-dimethyl-pentanoic acid; quinoline-3-carboxamide Openeye Name: 2-(2,6-diaminohexanoylamino)-4,4-dimethyl-pentanoic acid; quinoline-3-carboxamide CAS Name: 2-[(2,6-diamino-1-oxohexyl)amino]-4,4-dimethylpentanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(2,6-diaminohexanoylamino)-4,4-dimethylpentanoic acid; quinoline-3-carboxamide Traditional Name: 2-(2,6-diaminohexanoylamino)-4,4-dimethyl-valeric acid; quinoline-3-carboxamide Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O3.C10H8N2O/c1-13(2,3)8-10(12(18)19)16-11(17)9(15)6-4-5-7-14;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h9-10H,4-8,14-15H2,1-3H3,(H,16,17)(H,18,19);1-6H,(H2,11,13)