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

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-pyridin-2-ylsulfanyl-pentan-2-yl]amino]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylsulfanyl)butyl]amino]-1-[[3-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-pyridinylthio)pentan-2-yl]amino]-3-[3-(2,4-dinitrophenyl)-4-imidazolyl]-1-oxopropan-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]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-4-(2-pyridylthio)butyl]amino]-1-[[3-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C33H43N7O8S MolecularWeight: 697.80162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC3CCCCC3)C(CCSC4=CC=CC=N4)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CC3CCCCC3)[C@H](CCSC4=CC=CC=N4)O

InChI

InChI=1S/C33H43N7O8S/c1-33(2,3)48-32(43)37-26(18-24-20-34-21-38(24)27-13-12-23(39(44)45)19-28(27)40(46)47)31(42)36-25(17-22-9-5-4-6-10-22)29(41)14-16-49-30-11-7-8-15-35-30/h7-8,11-13,15,19-22,25-26,29,41H,4-6,9-10,14,16-18H2,1-3H3,(H,36,42)(H,37,43)/t25-,26-,29-/m0/s1