2-[[2-chloranyl-4-(2-phenylcyclopropyl)carbonyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[2-chloranyl-4-(2-phenylcyclopropyl)carbonyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2-chloro-4-(2-phenylcyclopropanecarbonyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[2-chloro-4-[oxo-(2-phenylcyclopropyl)methyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-(2-phenylcyclopropanecarbonyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[2-chloro-4-(2-phenylcyclopropanecarbonyl)benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C(C1C(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O5S/c26-19-11-15(22(29)18-12-17(18)14-5-2-1-3-6-14)8-9-16(19)23(30)28-20(25(32)33)13-27-24(31)21-7-4-10-34-21/h1-11,17-18,20H,12-13H2,(H,27,31)(H,28,30)(H,32,33)