methyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[3-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoate Traditional Name: 2-[3-(benzyloxycarbonylamino)propanoylamino]-3-(benzylthio)propionic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NC(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-28-21(26)19(16-30-15-18-10-6-3-7-11-18)24-20(25)12-13-23-22(27)29-14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,27)(H,24,25)