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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[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/c1-19(2)17-22(30-26(33)34-27(3,4)5)25(32)29-21(18-20-11-7-6-8-12-20)23(31)14-16-35-24-13-9-10-15-28-24/h9-10,13,15,19-23,31H,6-8,11-12,14,16-18H2,1-5H3,(H,29,32)(H,30,33)/t21-,22-,23-/m0/s1