3-(1H-indol-3-yl)-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[4-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-[(5-oxopyrrolidine-2-carbonyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(pyroglutamoylamino)benzoyl]amino]propionic acid Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)NC2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H22N4O5/c28-20-10-9-18(26-20)22(30)25-15-7-5-13(6-8-15)21(29)27-19(23(31)32)11-14-12-24-17-4-2-1-3-16(14)17/h1-8,12,18-19,24H,9-11H2,(H,25,30)(H,26,28)(H,27,29)(H,31,32)