(2R,3R)-2-[[(2S)-2-ethylhexanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: (2R,3R)-2-[[(2S)-2-ethylhexanoyl]amino]-3-oxidanyl-butanoate Openeye Name: (2R,3R)-2-[[(2S)-2-ethylhexanoyl]amino]-3-hydroxy-butanoate CAS Name: (2R,3R)-2-[[(2S)-2-ethyl-1-oxohexyl]amino]-3-hydroxybutanoate IUPAC Name: (2R,3R)-2-[[(2S)-2-ethylhexanoyl]amino]-3-hydroxybutanoate Traditional Name: (2R,3R)-2-[[(2S)-2-ethylhexanoyl]amino]-3-hydroxy-butyrate Formula: C12H22NO4- MolecularWeight: 244.30738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)N[C@H]([C@@H](C)O)C(=O)[O-]

InChI

InChI=1S/C12H23NO4/c1-4-6-7-9(5-2)11(15)13-10(8(3)14)12(16)17/h8-10,14H,4-7H2,1-3H3,(H,13,15)(H,16,17)/p-1/t8-,9+,10-/m1/s1