(2S,3S)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-valerate Formula: C15H29N3O3 MolecularWeight: 299.40906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)CC

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)CC

InChI

InChI=1S/C15H29N3O3/c1-4-12(3)14(15(20)21)16-13(19)6-7-18-10-8-17(5-2)9-11-18/h12,14H,4-11H2,1-3H3,(H,16,19)(H,20,21)/t12-,14-/m0/s1