methyl (2R)-4-methyl-2-[[5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoyl]amino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[[5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoyl]amino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoyl]amino]pentanoate CAS Name: (2R)-2-[[1,5-dioxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanoyl]amino]pentanoate Traditional Name: (2R)-2-[[5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CCCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C21H32N4O4/c1-16(2)15-17(21(28)29-3)23-19(26)8-6-9-20(27)25-13-11-24(12-14-25)18-7-4-5-10-22-18/h4-5,7,10,16-17H,6,8-9,11-15H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1