2-methyl-1-[2-[6-[4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoylamino]ethyl]-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-methyl-1-[2-[6-[4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoylamino]ethyl]-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-[6-[5-benzyloxycarbonyl-4-methyl-2-oxo-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoylamino]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 2-methyl-1-[2-[[6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]-1-oxohexyl]amino]ethyl]-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-1-[2-[6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoylamino]ethyl]-5-phenylpyrrole-3-carboxylic acid Traditional Name: 1-[2-[6-[5-carbobenzoxy-2-keto-4-methyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoylamino]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C45H46N4O6 MolecularWeight: 738.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCNC(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCNC(=O)CCCCCN2C(=C(C(NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C45H46N4O6/c1-31-38(43(51)52)29-39(36-19-11-5-12-20-36)48(31)28-26-46-40(50)21-13-6-14-27-49-32(2)41(44(53)55-30-33-15-7-3-8-16-33)42(47-45(49)54)37-24-22-35(23-25-37)34-17-9-4-10-18-34/h3-5,7-12,15-20,22-25,29,42H,6,13-14,21,26-28,30H2,1-2H3,(H,46,50)(H,47,54)(H,51,52)