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

Systemtic Name: 3-[2-[[2-(2-carboxyethylcarbamoylamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[2-(2-carboxyethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[2-[[(2-carboxyethylamino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[2-(2-carboxyethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[2-(2-carboxyethylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)NC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)NC(CC(=O)O)C2=CN=CC=C2)NC(=O)NCCC(=O)O

InChI

InChI=1S/C21H23N5O7/c27-17(25-16(10-19(30)31)13-4-3-8-22-11-13)12-24-20(32)14-5-1-2-6-15(14)26-21(33)23-9-7-18(28)29/h1-6,8,11,16H,7,9-10,12H2,(H,24,32)(H,25,27)(H,28,29)(H,30,31)(H2,23,26,33)