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

Systemtic Name: N-[3-(tert-butylsulfonylmethyl)-4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]cyclohexyl]carbamate Openeye Name: N-[4-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(tert-butylsulfonylmethyl)cyclohexyl]carbamate CAS Name: N-[3-(tert-butylsulfonylmethyl)-4-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]cyclohexyl]carbamate IUPAC Name: N-[3-(tert-butylsulfonylmethyl)-4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]cyclohexyl]carbamate Traditional Name: N-[4-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(tert-butylsulfonylmethyl)cyclohexyl]carbamate Formula: C25H38N3O7S2- MolecularWeight: 556.71512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC1CC(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)NC(=O)[O-]

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC1CC(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)NC(=O)[O-]

InChI

InChI=1S/C25H39N3O7S2/c1-25(2,3)37(33,34)16-18-14-19(26-23(30)31)10-11-20(18)27-22(29)21(12-13-36-4)28-24(32)35-15-17-8-6-5-7-9-17/h5-9,18-21,26H,10-16H2,1-4H3,(H,27,29)(H,28,32)(H,30,31)/p-1