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

Systemtic Name: 2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-3-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-3-carbonylamino)propanoic acid CAS Name: 2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-3-carbonylamino)propanoic acid Traditional Name: 2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(3-thenoylamino)propionic acid Formula: C25H21ClN4O5S MolecularWeight: 524.97604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CSC=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CSC=C4)C(=O)O)Cl

InChI

InChI=1S/C25H21ClN4O5S/c26-19-10-14(22(31)28-11-15-2-1-3-20-17(15)6-8-27-20)4-5-18(19)24(33)30-21(25(34)35)12-29-23(32)16-7-9-36-13-16/h1-10,13,21,27H,11-12H2,(H,28,31)(H,29,32)(H,30,33)(H,34,35)