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

Systemtic Name: methyl 3-[2-[6-[(4-methylpyridin-2-yl)amino]hexanoylamino]ethanoylamino]-3-(3-nitrophenyl)propanoate Openeye Name: methyl 3-[[2-[6-[(4-methyl-2-pyridyl)amino]hexanoylamino]acetyl]amino]-3-(3-nitrophenyl)propanoate CAS Name: 3-[[2-[[6-[(4-methyl-2-pyridinyl)amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[6-[(4-methylpyridin-2-yl)amino]hexanoylamino]acetyl]amino]-3-(3-nitrophenyl)propanoate Traditional Name: 3-[[2-[6-[(4-methyl-2-pyridyl)amino]hexanoylamino]acetyl]amino]-3-(3-nitrophenyl)propionic acid methyl ester Formula: C24H31N5O6 MolecularWeight: 485.53284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O6/c1-17-10-12-26-21(13-17)25-11-5-3-4-9-22(30)27-16-23(31)28-20(15-24(32)35-2)18-7-6-8-19(14-18)29(33)34/h6-8,10,12-14,20H,3-5,9,11,15-16H2,1-2H3,(H,25,26)(H,27,30)(H,28,31)