methyl 2-[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]acetyl]amino]acetic acid methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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