3-[7-[(4-methylpyridin-2-yl)amino]heptanoylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[7-[(4-methylpyridin-2-yl)amino]heptanoylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[7-[(4-methyl-2-pyridyl)amino]heptanoylamino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[7-[(4-methyl-2-pyridinyl)amino]-1-oxoheptyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[7-[(4-methylpyridin-2-yl)amino]heptanoylamino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[7-[(4-methyl-2-pyridyl)amino]heptanoylamino]-3-(3-nitrophenyl)propionic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCCCCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NCCCCCCC(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5/c1-16-10-12-24-20(13-16)23-11-5-3-2-4-9-21(27)25-19(15-22(28)29)17-7-6-8-18(14-17)26(30)31/h6-8,10,12-14,19H,2-5,9,11,15H2,1H3,(H,23,24)(H,25,27)(H,28,29)