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

Systemtic Name: 2-[[2-chloranyl-4-(3-phenylpropanoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2-chloro-4-(3-phenylpropanoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[2-chloro-4-(1-oxo-3-phenylpropyl)phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-(3-phenylpropanoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[(2-chloro-4-hydrocinnamoyl-benzoyl)amino]-3-(2-thenoylamino)propionic acid Formula: C24H21ClN2O5S MolecularWeight: 484.95194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=CC(=C(C=C2)C(=O)NC(CNC(=O)C3=CC=CS3)C(=O)O)Cl

InChI

InChI=1S/C24H21ClN2O5S/c25-18-13-16(20(28)11-8-15-5-2-1-3-6-15)9-10-17(18)22(29)27-19(24(31)32)14-26-23(30)21-7-4-12-33-21/h1-7,9-10,12-13,19H,8,11,14H2,(H,26,30)(H,27,29)(H,31,32)