2,2-dimethylpropanoyloxymethyl 4-[[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-[4-[(E)-N'-carbobenzoxyamidino]phenyl]piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid pivaloyloxymethyl ester Formula: C33H43N5O7 MolecularWeight: 621.72382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=NC(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)/C(=N\C(=O)OCC4=CC=CC=C4)/N

InChI

InChI=1S/C33H43N5O7/c1-33(2,3)30(40)45-22-44-29(39)25-9-13-26(14-10-25)35-31(41)38-19-17-37(18-20-38)27-15-11-24(12-16-27)28(34)36-32(42)43-21-23-7-5-4-6-8-23/h4-8,11-12,15-16,25-26H,9-10,13-14,17-22H2,1-3H3,(H,35,41)(H2,34,36,42)