ethyl 5-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl 5-[(1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl 4-(benzyloxycarbonylamino)-5-[(1-ethoxycarbonyl-3-methylsulfanyl-propyl)amino]-5-oxo-pentanoate CAS Name: 5-[[1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 4-(benzyloxycarbonylamino)-5-[[1-carbethoxy-3-(methylthio)propyl]amino]-5-keto-valeric acid ethyl ester Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CCSC)C(=O)OCC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(C(=O)NC(CCSC)C(=O)OCC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H32N2O7S/c1-4-29-19(25)12-11-17(24-22(28)31-15-16-9-7-6-8-10-16)20(26)23-18(13-14-32-3)21(27)30-5-2/h6-10,17-18H,4-5,11-15H2,1-3H3,(H,23,26)(H,24,28)