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

Systemtic Name: 3-benzamido-2-[[2-chloranyl-4-(1H-indol-4-ylmethylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[2-chloro-4-[(1H-indol-4-ylmethylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: 3-benzamido-2-[[2-chloro-4-(1H-indol-4-ylmethylcarbamoyl)benzoyl]amino]propionic acid Formula: C27H23ClN4O5 MolecularWeight: 518.94832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C=CNC4=CC=C3)Cl

InChI

InChI=1S/C27H23ClN4O5/c28-21-13-17(25(34)30-14-18-7-4-8-22-19(18)11-12-29-22)9-10-20(21)26(35)32-23(27(36)37)15-31-24(33)16-5-2-1-3-6-16/h1-13,23,29H,14-15H2,(H,30,34)(H,31,33)(H,32,35)(H,36,37)