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

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]carbamoyl]pentyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]amino]-1-oxohexan-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]-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]carbamoyl]pentyl]carbamic acid tert-butyl ester Formula: C27H45N3O4S MolecularWeight: 507.7289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O4S/c1-5-6-14-21(30-26(33)34-27(2,3)4)25(32)29-22(19-20-12-8-7-9-13-20)23(31)16-18-35-24-15-10-11-17-28-24/h10-11,15,17,20-23,31H,5-9,12-14,16,18-19H2,1-4H3,(H,29,32)(H,30,33)/t21-,22-,23-/m0/s1