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

Systemtic Name: 3-[2-[[3-(phenylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[3-[[anilino(oxo)methyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(phenylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O5/c30-21(29-20(13-22(31)32)17-7-5-11-25-14-17)15-26-23(33)16-6-4-10-19(12-16)28-24(34)27-18-8-2-1-3-9-18/h1-12,14,20H,13,15H2,(H,26,33)(H,29,30)(H,31,32)(H2,27,28,34)