tert-butyl N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyrimidin-2-ylsulfanyl-pentan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-pyrimidin-2-ylsulfanyl-butyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyrimidinylthio)pentan-2-yl]amino]-3-(methylthio)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyrimidin-2-ylsulfanylpentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyrimidylthio)butyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C24H40N4O4S2 MolecularWeight: 512.7288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC)C(=O)NC(CC1CCCCC1)C(CCSC2=NC=CC=N2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@H](CCSC2=NC=CC=N2)O

InChI

InChI=1S/C24H40N4O4S2/c1-24(2,3)32-23(31)28-19(16-33-4)21(30)27-18(15-17-9-6-5-7-10-17)20(29)11-14-34-22-25-12-8-13-26-22/h8,12-13,17-20,29H,5-7,9-11,14-16H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,20-/m0/s1