tert-butyl N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-4-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-pyridin-4-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-(4-pyridylsulfanyl)butyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(pyridin-4-ylthio)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-pyridin-4-ylsulfanylpentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(4-pyridylthio)butyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C25H41N3O4S2 MolecularWeight: 511.74074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC)C(=O)NC(CC1CCCCC1)C(CCSC2=CC=NC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC)C(=O)N[C@@H](CC1CCCCC1)[C@H](CCSC2=CC=NC=C2)O

InChI

InChI=1S/C25H41N3O4S2/c1-25(2,3)32-24(31)28-21(17-33-4)23(30)27-20(16-18-8-6-5-7-9-18)22(29)12-15-34-19-10-13-26-14-11-19/h10-11,13-14,18,20-22,29H,5-9,12,15-17H2,1-4H3,(H,27,30)(H,28,31)/t20-,21-,22-/m0/s1