tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-pyridin-2-ylsulfanylpentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C26H43N3O4S2 MolecularWeight: 525.76732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N3O4S2/c1-26(2,3)33-25(32)29-20(13-16-34-4)24(31)28-21(18-19-10-6-5-7-11-19)22(30)14-17-35-23-12-8-9-15-27-23/h8-9,12,15,19-22,30H,5-7,10-11,13-14,16-18H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22-/m0/s1