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

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-5-phenylazanyl-pentan-2-yl]amino]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-anilino-1-(cyclohexylmethyl)-2-hydroxy-4-oxo-butyl]amino]-1-[[3-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-anilino-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-[3-(2,4-dinitrophenyl)-4-imidazolyl]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-anilino-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-anilino-1-(cyclohexylmethyl)-2-hydroxy-4-keto-butyl]amino]-1-[[3-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C43H52N8O10 MolecularWeight: 840.92058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC4CCCCC4)C(CC(=O)NC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CC4CCCCC4)[C@H](CC(=O)NC5=CC=CC=C5)O

InChI

InChI=1S/C43H52N8O10/c1-43(2,3)61-42(56)48-34(22-29-15-9-5-10-16-29)40(54)47-35(23-32-26-44-27-49(32)36-20-19-31(50(57)58)24-37(36)51(59)60)41(55)46-33(21-28-13-7-4-8-14-28)38(52)25-39(53)45-30-17-11-6-12-18-30/h5-6,9-12,15-20,24,26-28,33-35,38,52H,4,7-8,13-14,21-23,25H2,1-3H3,(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t33-,34-,35-,38-/m0/s1