2-[[4-(1H-benzimidazol-4-ylmethylcarbamoyl)-2-chloranyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 2-[[4-(1H-benzimidazol-4-ylmethylcarbamoyl)-2-chloranyl-phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[4-(1H-benzimidazol-4-ylmethylcarbamoyl)-2-chloro-benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[4-[(1H-benzimidazol-4-ylmethylamino)-oxomethyl]-2-chlorophenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[4-(1H-benzimidazol-4-ylmethylcarbamoyl)-2-chlorobenzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[4-(1H-benzimidazol-4-ylmethylcarbamoyl)-2-chloro-benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C24H20ClN5O5S MolecularWeight: 525.9641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC=N2)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C2C(=C1)NC=N2)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)O)Cl

InChI

InChI=1S/C24H20ClN5O5S/c25-16-9-13(21(31)26-10-14-3-1-4-17-20(14)29-12-28-17)6-7-15(16)22(32)30-18(24(34)35)11-27-23(33)19-5-2-8-36-19/h1-9,12,18H,10-11H2,(H,26,31)(H,27,33)(H,28,29)(H,30,32)(H,34,35)