(2S)-2-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-butyrate Formula: C13H25N3O4 MolecularWeight: 287.3553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O4/c1-10(2)12(13(19)20)14-11(18)9-16-5-3-15(4-6-16)7-8-17/h10,12,17H,3-9H2,1-2H3,(H,14,18)(H,19,20)/t12-/m0/s1