N-[4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(methylsulfonylmethyl)cyclohexyl]carbamate

Systemtic Name: N-[4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(methylsulfonylmethyl)cyclohexyl]carbamate Openeye Name: N-[4-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(methylsulfonylmethyl)cyclohexyl]carbamate CAS Name: N-[3-(methylsulfonylmethyl)-4-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]cyclohexyl]carbamate IUPAC Name: N-[4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(methylsulfonylmethyl)cyclohexyl]carbamate Traditional Name: N-[4-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(mesylmethyl)cyclohexyl]carbamate Formula: C22H32N3O7S2- MolecularWeight: 514.63538

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCC(CC1CS(=O)(=O)C)NC(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NC1CCC(CC1CS(=O)(=O)C)NC(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H33N3O7S2/c1-33-11-10-19(25-22(29)32-13-15-6-4-3-5-7-15)20(26)24-18-9-8-17(23-21(27)28)12-16(18)14-34(2,30)31/h3-7,16-19,23H,8-14H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/p-1