ethyl (2R)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl (2R)-2-[[(2R)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl (2R)-2-[[(1R)-2-benzyloxy-1-methyl-2-oxo-ethyl]amino]-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-benzylsulfanyl-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate Traditional Name: (2R)-2-[[(1R)-2-benzoxy-2-keto-1-methyl-ethyl]amino]-3-(benzylthio)propionic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=CC=C1)N[C@H](C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4S/c1-3-26-22(25)20(16-28-15-19-12-8-5-9-13-19)23-17(2)21(24)27-14-18-10-6-4-7-11-18/h4-13,17,20,23H,3,14-16H2,1-2H3/t17-,20+/m1/s1