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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(cyclopropanecarbonylamino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C24H28N4O6S MolecularWeight: 500.56732

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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)C4CC4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4CC4

InChI

InChI=1S/C24H28N4O6S/c1-34-24(33)28-10-8-27(9-11-28)19-7-6-16(13-17(19)25-22(31)15-4-5-15)23(32)26-18(14-21(29)30)20-3-2-12-35-20/h2-3,6-7,12-13,15,18H,4-5,8-11,14H2,1H3,(H,25,31)(H,26,32)(H,29,30)