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

Systemtic Name: 3-[[1-(2-methoxyethanoyl)-4-(3-methylphenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[1-(2-methoxyacetyl)-4-(3-methylbenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[1-(2-methoxy-1-oxoethyl)-4-[(3-methylphenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[1-(2-methoxyacetyl)-4-(3-methylbenzoyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[1-(2-methoxyacetyl)-4-m-toluoyl-piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)COC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)COC

InChI

InChI=1S/C23H27N3O6S/c1-15-5-3-6-16(11-15)23(31)25-8-9-26(20(27)14-32-2)18(13-25)22(30)24-17(12-21(28)29)19-7-4-10-33-19/h3-7,10-11,17-18H,8-9,12-14H2,1-2H3,(H,24,30)(H,28,29)