methyl 4-[[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]propanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-3-[4-[(2-bromophenyl)methoxy-oxomethoxy]phenyl]-2-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-oxomethyl]amino]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]propanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-3-[4-(2-bromobenzyl)oxycarbonyloxyphenyl]-2-[[4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]propanoyl]amino]methyl]cyclohexanecarboxylic acid methyl ester Formula: C39H52BrN3O9 MolecularWeight: 786.74888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NCC4CCC(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NCC4CCC(CC4)C(=O)OC

InChI

InChI=1S/C39H52BrN3O9/c1-39(2,3)52-37(47)42-23-27-9-15-28(16-10-27)34(44)43-33(35(45)41-22-26-11-17-29(18-12-26)36(46)49-4)21-25-13-19-31(20-14-25)51-38(48)50-24-30-7-5-6-8-32(30)40/h5-8,13-14,19-20,26-29,33H,9-12,15-18,21-24H2,1-4H3,(H,41,45)(H,42,47)(H,43,44)/t26?,27?,28?,29?,33-/m0/s1