(2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[(2-methanethioyl-1-oxo-4-phenylbutyl)amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(2-methanethioyl-4-phenylbutanoyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-4-methyl-2-[(4-phenyl-2-thioformyl-butanoyl)amino]valeric acid Formula: C17H23NO3S MolecularWeight: 321.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(CCC1=CC=CC=C1)C=S

InChI

InChI=1S/C17H23NO3S/c1-12(2)10-15(17(20)21)18-16(19)14(11-22)9-8-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3,(H,18,19)(H,20,21)/t14?,15-/m0/s1