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

Systemtic Name: (2R)-3-methylsulfanyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: (2R)-3-(methylthio)-2-[[(2R)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: (2R)-3-methylsulfanyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(methylthio)propionic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSC[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-29-14-18(20(25)26)22-19(24)17(12-15-8-4-2-5-9-15)23-21(27)28-13-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t17-,18+/m1/s1