(2R)-2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-benzyl-3-sulfanyl-propanoyl]amino]-3-phenylsulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-(phenylthio)propanoic acid IUPAC Name: (2R)-2-[[(2S)-2-benzyl-3-sulfanylpropanoyl]amino]-3-phenylsulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-benzyl-3-mercapto-propanoyl]amino]-3-(phenylthio)propionic acid Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)C(=O)N[C@@H](CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO3S2/c21-18(15(12-24)11-14-7-3-1-4-8-14)20-17(19(22)23)13-25-16-9-5-2-6-10-16/h1-10,15,17,24H,11-13H2,(H,20,21)(H,22,23)/t15-,17+/m1/s1