(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-ethanoic acid Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-phenylsulfanyl-acetic acid CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-2-(phenylthio)acetic acid IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-phenylsulfanylacetic acid Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-(phenylthio)acetic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O4S/c1-13(22)20-16(12-14-8-4-2-5-9-14)17(23)21-18(19(24)25)26-15-10-6-3-7-11-15/h2-11,16,18H,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t16-,18-/m0/s1