3-[[4-(3-methoxyphenyl)carbonyl-1-(2-phenylethanoyl)piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(3-methoxyphenyl)carbonyl-1-(2-phenylethanoyl)piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(3-methoxybenzoyl)-1-(2-phenylacetyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[(3-methoxyphenyl)-oxomethyl]-1-(1-oxo-2-phenylethyl)-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(3-methoxybenzoyl)-1-(2-phenylacetyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-m-anisoyl-1-(2-phenylacetyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O6S/c1-37-21-10-5-9-20(16-21)28(36)30-12-13-31(25(32)15-19-7-3-2-4-8-19)23(18-30)27(35)29-22(17-26(33)34)24-11-6-14-38-24/h2-11,14,16,22-23H,12-13,15,17-18H2,1H3,(H,29,35)(H,33,34)