2-[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

Systemtic Name: 2-[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [2-[[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]-oxomethyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[2-(3,4-dihydro-2H-pyrrol-5-ylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[[2-(1-pyrrolin-2-ylamino)benzoyl]amino]acetyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

Isomeric SMILES

C1CC(=NC1)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

InChI

InChI=1S/C21H23N5O4/c22-20-14(5-3-12-24-20)9-10-18(27)30-19(28)13-25-21(29)15-6-1-2-7-16(15)26-17-8-4-11-23-17/h1-3,5-7,12H,4,8-11,13H2,(H2,22,24)(H,23,26)(H,25,29)