3-[(2R)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-sulfanyl-ethyl]benzoic acid

Systemtic Name: 3-[(2R)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-sulfanyl-ethyl]benzoic acid Openeye Name: 3-[(2R)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-sulfanyl-ethyl]benzoic acid CAS Name: 3-[(2R)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-2-mercaptoethyl]benzoic acid IUPAC Name: 3-[(2R)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-2-sulfanylethyl]benzoic acid Traditional Name: 3-[(2R)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-2-mercapto-ethyl]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC(=C2)C(=O)O)S

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC(=C2)C(=O)O)S

InChI

InChI=1S/C20H22N2O4S/c1-13(23)21-17(11-14-6-3-2-4-7-14)19(24)22-18(27)12-15-8-5-9-16(10-15)20(25)26/h2-10,17-18,27H,11-12H2,1H3,(H,21,23)(H,22,24)(H,25,26)/t17-,18+/m0/s1