3-[[3-oxidanylidene-3-[6-(pyridin-4-ylmethylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-3-[6-(pyridin-4-ylmethylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-3-[6-(4-pyridylmethylcarbamoylamino)indolin-1-yl]propanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[1,3-dioxo-3-[6-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]-2,3-dihydroindol-1-yl]propyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-oxo-3-[6-(pyridin-4-ylmethylcarbamoylamino)-2,3-dihydroindol-1-yl]propanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-3-[6-(4-pyridylmethylcarbamoylamino)indolin-1-yl]propanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H26N6O5 MolecularWeight: 502.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=O)NCC3=CC=NC=C3)C(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=O)NCC3=CC=NC=C3)C(=O)CC(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C26H26N6O5/c33-23(31-21(13-25(35)36)19-2-1-8-28-16-19)14-24(34)32-11-7-18-3-4-20(12-22(18)32)30-26(37)29-15-17-5-9-27-10-6-17/h1-6,8-10,12,16,21H,7,11,13-15H2,(H,31,33)(H,35,36)(H2,29,30,37)