methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]acetic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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