(2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)butanoylamino]-4-methyl-pentanoate

Systemtic Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)butanoylamino]-4-methyl-pentanoate Openeye Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)butanoylamino]-4-methyl-pentanoate CAS Name: (2R)-2-[[4-(4-ethyl-1-piperazin-4-iumyl)-1-oxobutyl]amino]-4-methylpentanoate IUPAC Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)butanoylamino]-4-methylpentanoate Traditional Name: (2R)-2-[4-(4-ethylpiperazin-4-ium-1-yl)butanoylamino]-4-methyl-valerate Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCC(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCC(=O)N[C@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C16H31N3O3/c1-4-18-8-10-19(11-9-18)7-5-6-15(20)17-14(16(21)22)12-13(2)3/h13-14H,4-12H2,1-3H3,(H,17,20)(H,21,22)/t14-/m1/s1