2-azanyl-4-methyl-pentanamide; 2-azanylpentanoic acid; 6-azanyl-2-(3-phenylpropanoylamino)hexanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanamide; 2-azanylpentanoic acid; 6-azanyl-2-(3-phenylpropanoylamino)hexanoic acid Openeye Name: 2-amino-4-methyl-pentanamide; 2-aminopentanoic acid; 6-amino-2-(3-phenylpropanoylamino)hexanoic acid CAS Name: 2-amino-4-methylpentanamide; 6-amino-2-[(1-oxo-3-phenylpropyl)amino]hexanoic acid; 2-aminopentanoic acid IUPAC Name: 2-amino-4-methylpentanamide; 2-aminopentanoic acid; 6-amino-2-(3-phenylpropanoylamino)hexanoic acid Traditional Name: 6-amino-2-(hydrocinnamoylamino)hexanoic acid; 2-amino-4-methyl-valeramide; 2-aminovaleric acid Formula: C26H47N5O6 MolecularWeight: 525.68128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3.C6H14N2O.C5H11NO2/c16-11-5-4-8-13(15(19)20)17-14(18)10-9-12-6-2-1-3-7-12;1-4(2)3-5(7)6(8)9;1-2-3-4(6)5(7)8/h1-3,6-7,13H,4-5,8-11,16H2,(H,17,18)(H,19,20);4-5H,3,7H2,1-2H3,(H2,8,9);4H,2-3,6H2,1H3,(H,7,8)