ethyl 2-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 2-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 2-[[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 2-[[2-[[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-(3-pyridyl)-2-[[2-[[3-(1-pyrrolin-2-ylamino)benzoyl]amino]acetyl]amino]propionic acid ethyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC3=NCCC3

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)NC3=NCCC3

InChI

InChI=1S/C23H27N5O4/c1-2-32-23(31)19(12-16-6-4-10-24-14-16)28-21(29)15-26-22(30)17-7-3-8-18(13-17)27-20-9-5-11-25-20/h3-4,6-8,10,13-14,19H,2,5,9,11-12,15H2,1H3,(H,25,27)(H,26,30)(H,28,29)