(2S,3S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[3-[2-hydroxyethyl(methyl)ammonio]propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-[2-hydroxyethyl(methyl)ammonio]-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[3-[2-hydroxyethyl(methyl)azaniumyl]propanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[3-[2-hydroxyethyl(methyl)ammonio]propanoylamino]-3-methyl-valerate Formula: C12H24N2O4 MolecularWeight: 260.32996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4/c1-4-9(2)11(12(17)18)13-10(16)5-6-14(3)7-8-15/h9,11,15H,4-8H2,1-3H3,(H,13,16)(H,17,18)/t9-,11-/m0/s1