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

Systemtic Name: ethyl 3-[[3-[6-(aminocarbonylamino)-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoyl]amino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[3-oxo-3-(6-ureidoindolin-1-yl)propanoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-[6-(carbamoylamino)-2,3-dihydroindol-1-yl]-1,3-dioxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[6-(carbamoylamino)-2,3-dihydroindol-1-yl]-3-oxopropanoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-keto-3-(6-ureidoindolin-1-yl)propanoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CC(=O)N2CCC3=C2C=C(C=C3)NC(=O)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CC(=O)N2CCC3=C2C=C(C=C3)NC(=O)N

InChI

InChI=1S/C22H25N5O5/c1-2-32-21(30)11-17(15-4-3-8-24-13-15)26-19(28)12-20(29)27-9-7-14-5-6-16(10-18(14)27)25-22(23)31/h3-6,8,10,13,17H,2,7,9,11-12H2,1H3,(H,26,28)(H3,23,25,31)