(2R)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2S)-3-mercapto-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-mercapto-propanoyl]amino]-3-phenyl-propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CS)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)[C@@H](CS)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S/c23-18(21-16(19(24)25)11-14-7-3-1-4-8-14)17(13-28)22-20(26)27-12-15-9-5-2-6-10-15/h1-10,16-17,28H,11-13H2,(H,21,23)(H,22,26)(H,24,25)/t16-,17-/m1/s1