2-azanyl-4-methyl-pentanoic acid; 2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-(4-propylphenyl)butanoic acid

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; 2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-(4-propylphenyl)butanoic acid Openeye Name: 2-amino-4-methyl-pentanoic acid; 2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-4-(4-propylphenyl)butanoic acid CAS Name: 2-amino-4-methylpentanoic acid; 2-[(1-hydroxy-1-oxopropan-2-yl)amino]-4-(4-propylphenyl)butanoic acid IUPAC Name: 2-amino-4-methylpentanoic acid; 2-[(1-hydroxy-1-oxopropan-2-yl)amino]-4-(4-propylphenyl)butanoic acid Traditional Name: 2-amino-4-methyl-valeric acid; 2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-4-(4-propylphenyl)butyric acid Formula: C22H36N2O6 MolecularWeight: 424.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CCC(C(=O)O)NC(C)C(=O)O.CC(C)CC(C(=O)O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)CCC(C(=O)O)NC(C)C(=O)O.CC(C)CC(C(=O)O)N

InChI

InChI=1S/C16H23NO4.C6H13NO2/c1-3-4-12-5-7-13(8-6-12)9-10-14(16(20)21)17-11(2)15(18)19;1-4(2)3-5(7)6(8)9/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,19)(H,20,21);4-5H,3,7H2,1-2H3,(H,8,9)