[4-[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-[(4-butylphenyl)amino]-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate

Systemtic Name: [4-[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-[(4-butylphenyl)amino]-3-oxidanylidene-propyl]phenyl] (2-bromophenyl)methyl carbonate Openeye Name: [4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(4-butylanilino)-3-oxo-propyl]phenyl] (2-bromophenyl)methyl carbonate CAS Name: carbonic acid [4-[(2S)-2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-(4-butylanilino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl ester IUPAC Name: [4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(4-butylanilino)-3-oxopropyl]phenyl] (2-bromophenyl)methyl carbonate Traditional Name: carbonic acid [4-[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(4-butylanilino)-3-keto-propyl]phenyl] (2-bromobenzyl) ester Formula: C35H42BrN3O5 MolecularWeight: 664.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)NC(=O)C4CCC(CC4)CN

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)NC(=O)C4CCC(CC4)CN

InChI

InChI=1S/C35H42BrN3O5/c1-2-3-6-24-11-17-29(18-12-24)38-34(41)32(39-33(40)27-15-9-26(22-37)10-16-27)21-25-13-19-30(20-14-25)44-35(42)43-23-28-7-4-5-8-31(28)36/h4-5,7-8,11-14,17-20,26-27,32H,2-3,6,9-10,15-16,21-23,37H2,1H3,(H,38,41)(H,39,40)/t26?,27?,32-/m0/s1