methyl 3-(4-methyl-3-nitro-phenyl)-3-[2-[6-[(4-methylpyridin-2-yl)amino]hexanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-(4-methyl-3-nitro-phenyl)-3-[2-[6-[(4-methylpyridin-2-yl)amino]hexanoylamino]ethanoylamino]propanoate Openeye Name: methyl 3-(4-methyl-3-nitro-phenyl)-3-[[2-[6-[(4-methyl-2-pyridyl)amino]hexanoylamino]acetyl]amino]propanoate CAS Name: 3-(4-methyl-3-nitrophenyl)-3-[[2-[[6-[(4-methyl-2-pyridinyl)amino]-1-oxohexyl]amino]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methyl-3-nitrophenyl)-3-[[2-[6-[(4-methylpyridin-2-yl)amino]hexanoylamino]acetyl]amino]propanoate Traditional Name: 3-(4-methyl-3-nitro-phenyl)-3-[[2-[6-[(4-methyl-2-pyridyl)amino]hexanoylamino]acetyl]amino]propionic acid methyl ester Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O6/c1-17-10-12-27-22(13-17)26-11-6-4-5-7-23(31)28-16-24(32)29-20(15-25(33)36-3)19-9-8-18(2)21(14-19)30(34)35/h8-10,12-14,20H,4-7,11,15-16H2,1-3H3,(H,26,27)(H,28,31)(H,29,32)