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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CC(=NC1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

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