[[4-[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-2-bromanyl-phenyl]-phenyl-methyl] hydrogen carbonate

Systemtic Name: [[4-[(2S)-2-[[4-(aminomethyl)cyclohexyl]carbonylamino]-3-[(4-ethanoylphenyl)amino]-3-oxidanylidene-propyl]-2-bromanyl-phenyl]-phenyl-methyl] hydrogen carbonate Openeye Name: [[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxo-propyl]-2-bromo-phenyl]-phenyl-methyl] hydrogen carbonate CAS Name: carbonic acid [[4-[(2S)-3-(4-acetylanilino)-2-[[[4-(aminomethyl)cyclohexyl]-oxomethyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] ester IUPAC Name: [[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate Traditional Name: carbonic acid [[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-keto-propyl]-2-bromo-phenyl]-phenyl-methyl] ester Formula: C33H36BrN3O6 MolecularWeight: 650.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC(=C(C=C2)C(C3=CC=CC=C3)OC(=O)O)Br)NC(=O)C4CCC(CC4)CN

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC(=C(C=C2)C(C3=CC=CC=C3)OC(=O)O)Br)NC(=O)C4CCC(CC4)CN

InChI

InChI=1S/C33H36BrN3O6/c1-20(38)23-12-14-26(15-13-23)36-32(40)29(37-31(39)25-10-7-21(19-35)8-11-25)18-22-9-16-27(28(34)17-22)30(43-33(41)42)24-5-3-2-4-6-24/h2-6,9,12-17,21,25,29-30H,7-8,10-11,18-19,35H2,1H3,(H,36,40)(H,37,39)(H,41,42)/t21?,25?,29-,30?/m0/s1