3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[(1-oxo-2-phenylethyl)amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C28H30N4O6S MolecularWeight: 550.626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O6S/c1-38-28(37)32-13-11-31(12-14-32)23-10-9-20(17-21(23)29-25(33)16-19-6-3-2-4-7-19)27(36)30-22(18-26(34)35)24-8-5-15-39-24/h2-10,15,17,22H,11-14,16,18H2,1H3,(H,29,33)(H,30,36)(H,34,35)