tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-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]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]carbamoyl]butyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]amino]-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]-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]carbamoyl]butyl]carbamic acid tert-butyl ester Formula: C26H43N3O4S MolecularWeight: 493.70232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N3O4S/c1-5-11-20(29-25(32)33-26(2,3)4)24(31)28-21(18-19-12-7-6-8-13-19)22(30)15-17-34-23-14-9-10-16-27-23/h9-10,14,16,19-22,30H,5-8,11-13,15,17-18H2,1-4H3,(H,28,31)(H,29,32)/t20-,21-,22-/m0/s1