3-[[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-(3,3-dimethylbutanoylamino)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-(3,3-dimethylbutanoylamino)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(3,3-dimethylbutanoylamino)benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-(3,3-dimethylbutanoylamino)benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-(3,3-dimethylbutanoylamino)-4-(4-veratroylpiperazino)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C36H44N4O7 MolecularWeight: 644.75716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)NC(=O)CC(C)(C)C

InChI

InChI=1S/C36H44N4O7/c1-23-7-9-24(10-8-23)27(21-33(42)43)38-34(44)25-11-13-29(28(19-25)37-32(41)22-36(2,3)4)39-15-17-40(18-16-39)35(45)26-12-14-30(46-5)31(20-26)47-6/h7-14,19-20,27H,15-18,21-22H2,1-6H3,(H,37,41)(H,38,44)(H,42,43)