methyl 4-methylsulfanyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O6S/c1-26-17(24)14(8-9-28-2)21-16(23)11-19-15(22)10-20-18(25)27-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,22)(H,20,25)(H,21,23)