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

Systemtic Name: 3-[[3-[6-(aminocarbonylamino)-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-oxo-3-(6-ureidoindolin-1-yl)propanoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[6-(carbamoylamino)-2,3-dihydroindol-1-yl]-1,3-dioxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[6-(carbamoylamino)-2,3-dihydroindol-1-yl]-3-oxopropanoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-keto-3-(6-ureidoindolin-1-yl)propanoyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c21-20(30)23-14-4-3-12-5-7-25(16(12)8-14)18(27)10-17(26)24-15(9-19(28)29)13-2-1-6-22-11-13/h1-4,6,8,11,15H,5,7,9-10H2,(H,24,26)(H,28,29)(H3,21,23,30)