2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzoyl]amino]benzoic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O)N

InChI

InChI=1S/C25H22N4O4/c26-19(13-15-14-27-20-10-4-1-7-16(15)20)24(31)29-21-11-5-2-8-17(21)23(30)28-22-12-6-3-9-18(22)25(32)33/h1-12,14,19,27H,13,26H2,(H,28,30)(H,29,31)(H,32,33)