3-[[3-benzamido-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C33H37N5O6 MolecularWeight: 599.67678

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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)N4CCOCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCOCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H37N5O6/c1-23-7-9-24(10-8-23)27(22-30(39)40)34-32(42)26-11-12-29(28(21-26)35-31(41)25-5-3-2-4-6-25)36-13-15-37(16-14-36)33(43)38-17-19-44-20-18-38/h2-12,21,27H,13-20,22H2,1H3,(H,34,42)(H,35,41)(H,39,40)