3-[2-[[3-(phenylazanylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(phenylazanylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(anilinocarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-[[oxo-(phenylhydrazo)methyl]amino]phenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(anilinocarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(anilinocarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H24N6O5 MolecularWeight: 476.48456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NNC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C24H24N6O5/c31-21(28-20(13-22(32)33)17-7-5-11-25-14-17)15-26-23(34)16-6-4-10-19(12-16)27-24(35)30-29-18-8-2-1-3-9-18/h1-12,14,20,29H,13,15H2,(H,26,34)(H,28,31)(H,32,33)(H2,27,30,35)