methyl 3-[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]ethanoylamino]-3-(3-nitrophenyl)propanoate

Systemtic Name: methyl 3-[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]ethanoylamino]-3-(3-nitrophenyl)propanoate Openeye Name: methyl 3-[[2-[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]acetyl]amino]-3-(3-nitrophenyl)propanoate CAS Name: 3-[[2-[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]acetyl]amino]-3-(3-nitrophenyl)propanoate Traditional Name: 3-[[2-[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]acetyl]amino]-3-(3-nitrophenyl)propionic acid methyl ester Formula: C23H29N5O6 MolecularWeight: 471.50626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O6/c1-16-9-11-25-20(12-16)24-10-4-3-8-21(29)26-15-22(30)27-19(14-23(31)34-2)17-6-5-7-18(13-17)28(32)33/h5-7,9,11-13,19H,3-4,8,10,14-15H2,1-2H3,(H,24,25)(H,26,29)(H,27,30)