2-[(2-azanyl-4-phenyl-butanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-4-phenyl-butanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-amino-4-phenyl-butanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[(2-amino-1-oxo-4-phenylbutyl)amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-4-phenylbutanoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2-amino-4-phenyl-butanoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CCC1=CC=CC=C1)N)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CCC1=CC=CC=C1)N)S

InChI

InChI=1S/C15H22N2O3S/c1-15(2,21)12(14(19)20)17-13(18)11(16)9-8-10-6-4-3-5-7-10/h3-7,11-12,21H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)