3-(3-nitrophenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6/c26-18(8-4-10-22-17-7-1-2-9-21-17)23-13-19(27)24-16(12-20(28)29)14-5-3-6-15(11-14)25(30)31/h1-3,5-7,9,11,16H,4,8,10,12-13H2,(H,21,22)(H,23,26)(H,24,27)(H,28,29)