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

Systemtic Name: methyl (2R)-4-methyl-2-[[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoyl]amino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoyl]amino]pentanoate CAS Name: (2R)-2-[[1,4-dioxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanoyl]amino]pentanoate Traditional Name: (2R)-2-[[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O4/c1-15(2)14-16(20(27)28-3)22-18(25)7-8-19(26)24-12-10-23(11-13-24)17-6-4-5-9-21-17/h4-6,9,15-16H,7-8,10-14H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1