3-[[3-[2-(4-methoxyphenyl)ethanoylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[2-(4-methoxyphenyl)ethanoylamino]-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-[4-(2-phenylacetyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C36H37N5O6 MolecularWeight: 635.70888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C36H37N5O6/c1-47-29-12-9-26(10-13-29)20-33(42)38-31-22-27(36(46)39-30(23-35(44)45)28-8-5-15-37-24-28)11-14-32(31)40-16-18-41(19-17-40)34(43)21-25-6-3-2-4-7-25/h2-15,22,24,30H,16-21,23H2,1H3,(H,38,42)(H,39,46)(H,44,45)