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

Systemtic Name: 2-[[2-bromanyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]-3-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid CAS Name: 2-[[[2-bromo-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 2-[[2-bromo-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]-3-(2-thenoylamino)propionic acid Formula: C25H21BrN4O5S MolecularWeight: 569.42704

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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=CC=CS4)C(=O)O)Br

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)CNC(=O)C3=CC(=C(C=C3)C(=O)NC(CNC(=O)C4=CC=CS4)C(=O)O)Br

InChI

InChI=1S/C25H21BrN4O5S/c26-18-11-14(22(31)28-12-15-3-1-4-19-16(15)8-9-27-19)6-7-17(18)23(32)30-20(25(34)35)13-29-24(33)21-5-2-10-36-21/h1-11,20,27H,12-13H2,(H,28,31)(H,29,33)(H,30,32)(H,34,35)