ethyl 2-[[3-(3-aminocarbonyl-4H-pyridin-1-yl)propanoylamino]methyl]-3-(1H-indol-3-yl)propanoate

Systemtic Name: ethyl 2-[[3-(3-aminocarbonyl-4H-pyridin-1-yl)propanoylamino]methyl]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl 2-[[3-(3-carbamoyl-4H-pyridin-1-yl)propanoylamino]methyl]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[[3-(3-carbamoyl-4H-pyridin-1-yl)-1-oxopropyl]amino]methyl]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(3-carbamoyl-4H-pyridin-1-yl)propanoylamino]methyl]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(3-carbamoyl-4H-pyridin-1-yl)propanoylamino]methyl]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)CNC(=O)CCN3C=CCC(=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC=CC=C21)CNC(=O)CCN3C=CCC(=C3)C(=O)N

InChI

InChI=1S/C23H28N4O4/c1-2-31-23(30)18(12-17-13-25-20-8-4-3-7-19(17)20)14-26-21(28)9-11-27-10-5-6-16(15-27)22(24)29/h3-5,7-8,10,13,15,18,25H,2,6,9,11-12,14H2,1H3,(H2,24,29)(H,26,28)