ethyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoate

Systemtic Name: ethyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoate Openeye Name: ethyl (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methylsulfanyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoate Traditional Name: (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5S/c1-3-28-19(25)18(12-15-30-2)23-20(26)22(13-8-5-9-14-22)24-21(27)29-16-17-10-6-4-7-11-17/h4,6-7,10-11,18H,3,5,8-9,12-16H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1