[4-[2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]ethyl]-2-ethoxycarbonyloxy-phenyl] ethyl carbonate

Systemtic Name: [4-[2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]ethyl]-2-ethoxycarbonyloxy-phenyl] ethyl carbonate Openeye Name: [4-[2-[[(2S)-2-acetamido-4-methylsulfanyl-butanoyl]amino]ethyl]-2-ethoxycarbonyloxy-phenyl] ethyl carbonate CAS Name: carbonic acid [4-[2-[[(2S)-2-acetamido-4-(methylthio)-1-oxobutyl]amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl ester IUPAC Name: [4-[2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]ethyl]-2-ethoxycarbonyloxyphenyl] ethyl carbonate Traditional Name: carbonic acid [4-[2-[[(2S)-2-acetamido-4-(methylthio)butanoyl]amino]ethyl]-2-carbethoxyoxy-phenyl] ethyl ester Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)C)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)[C@H](CCSC)NC(=O)C)OC(=O)OCC

InChI

InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1