3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H32N4O6S MolecularWeight: 576.66328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O6S/c35-27(19-40-22-5-2-1-3-6-22)31-23-17-21(29(38)32-24(18-28(36)37)26-7-4-16-41-26)10-11-25(23)33-12-14-34(15-13-33)30(39)20-8-9-20/h1-7,10-11,16-17,20,24H,8-9,12-15,18-19H2,(H,31,35)(H,32,38)(H,36,37)