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

Systemtic Name: (2S,3S)-2-[3-[ethyl(2-hydroxyethyl)azaniumyl]propanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[3-[ethyl(2-hydroxyethyl)ammonio]propanoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-[ethyl(2-hydroxyethyl)ammonio]-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[3-[ethyl(2-hydroxyethyl)azaniumyl]propanoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[3-[ethyl(2-hydroxyethyl)ammonio]propanoylamino]-3-methyl-valerate Formula: C13H26N2O4 MolecularWeight: 274.35654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O4/c1-4-10(3)12(13(18)19)14-11(17)6-7-15(5-2)8-9-16/h10,12,16H,4-9H2,1-3H3,(H,14,17)(H,18,19)/t10-,12-/m0/s1