3-[[3-oxidanylidene-3-[6-(phenylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-3-[6-(phenylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-3-[6-(phenylcarbamoylamino)indolin-1-yl]propanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[6-[[anilino(oxo)methyl]amino]-2,3-dihydroindol-1-yl]-1,3-dioxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-3-[6-(phenylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-3-[6-(phenylcarbamoylamino)indolin-1-yl]propanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=O)NC3=CC=CC=C3)C(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5O5/c32-23(30-21(14-25(34)35)18-5-4-11-27-16-18)15-24(33)31-12-10-17-8-9-20(13-22(17)31)29-26(36)28-19-6-2-1-3-7-19/h1-9,11,13,16,21H,10,12,14-15H2,(H,30,32)(H,34,35)(H2,28,29,36)