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

Systemtic Name: 2-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: 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)propanoate IUPAC Name: 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]propionate Formula: C21H22N5O4- MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC(=NC1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23N5O4/c27-19(26-17(21(29)30)10-14-4-2-8-22-12-14)13-24-20(28)15-5-1-6-16(11-15)25-18-7-3-9-23-18/h1-2,4-6,8,11-12,17H,3,7,9-10,13H2,(H,23,25)(H,24,28)(H,26,27)(H,29,30)/p-1