3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(3-nitro-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]ethanoylamino]-3-(3-nitro-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(2-hydroxy-3-nitro-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-(2-hydroxy-3-nitrophenyl)-3-[[2-[[4-[(4-methyl-2-pyridinyl)amino]-1-oxobutyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(2-hydroxy-3-nitrophenyl)-3-[[2-[4-[(4-methylpyridin-2-yl)amino]butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(2-hydroxy-3-nitro-phenyl)-3-[[2-[4-[(4-methyl-2-pyridyl)amino]butanoylamino]acetyl]amino]propionic acid Formula: C21H25N5O7 MolecularWeight: 459.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=NC=C1)NCCCC(=O)NCC(=O)NC(CC(=O)O)C2=C(C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N5O7/c1-13-7-9-23-17(10-13)22-8-3-6-18(27)24-12-19(28)25-15(11-20(29)30)14-4-2-5-16(21(14)31)26(32)33/h2,4-5,7,9-10,15,31H,3,6,8,11-12H2,1H3,(H,22,23)(H,24,27)(H,25,28)(H,29,30)