(2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2-methanethioyl-4-phenyl-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2-methanethioyl-1-oxo-4-phenylbutyl)amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2-methanethioyl-4-phenylbutanoyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-3-phenyl-2-[(4-phenyl-2-thioformyl-butanoyl)amino]propionic acid Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=S)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C=S)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H21NO3S/c22-19(17(14-25)12-11-15-7-3-1-4-8-15)21-18(20(23)24)13-16-9-5-2-6-10-16/h1-10,14,17-18H,11-13H2,(H,21,22)(H,23,24)/t17?,18-/m0/s1