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

Systemtic Name: 3-[[3-[6-(carbamothioylamino)-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoyl]amino]-3-pyridin-2-yl-propanoic acid Openeye Name: 3-[[3-[6-(carbamothioylamino)indolin-1-yl]-3-oxo-propanoyl]amino]-3-(2-pyridyl)propanoic acid CAS Name: 3-[[3-[6-(carbamothioylamino)-2,3-dihydroindol-1-yl]-1,3-dioxopropyl]amino]-3-(2-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[6-(carbamothioylamino)-2,3-dihydroindol-1-yl]-3-oxopropanoyl]amino]-3-pyridin-2-ylpropanoic acid Traditional Name: 3-[[3-keto-3-(6-thioureidoindolin-1-yl)propanoyl]amino]-3-(2-pyridyl)propionic acid Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=S)N)C(=O)CC(=O)NC(CC(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=S)N)C(=O)CC(=O)NC(CC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C20H21N5O4S/c21-20(30)23-13-5-4-12-6-8-25(16(12)9-13)18(27)11-17(26)24-15(10-19(28)29)14-3-1-2-7-22-14/h1-5,7,9,15H,6,8,10-11H2,(H,24,26)(H,28,29)(H3,21,23,30)