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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16(23-22(27)29-13-17-9-5-3-6-10-17)20(25)24-19(21(26)28-2)15-30-14-18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,27)(H,24,25)