2-[2,5-bis(azanyl)pentanoylamino]-4,4-dimethyl-pentanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-4,4-dimethyl-pentanoic acid; quinoline-3-carboxamide Openeye Name: 2-(2,5-diaminopentanoylamino)-4,4-dimethyl-pentanoic acid; quinoline-3-carboxamide CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-4,4-dimethylpentanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(2,5-diaminopentanoylamino)-4,4-dimethylpentanoic acid; quinoline-3-carboxamide Traditional Name: 2-(2,5-diaminopentanoylamino)-4,4-dimethyl-valeric acid; quinoline-3-carboxamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O3.C10H8N2O/c1-12(2,3)7-9(11(17)18)15-10(16)8(14)5-4-6-13;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h8-9H,4-7,13-14H2,1-3H3,(H,15,16)(H,17,18);1-6H,(H2,11,13)