methyl (2S)-2-(7-methyloctanoylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-(7-methyloctanoylamino)-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-(7-methyloctanoylamino)propanoate CAS Name: (2S)-3-hydroxy-2-[(7-methyl-1-oxooctyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-(7-methyloctanoylamino)propanoate Traditional Name: (2S)-3-hydroxy-2-(7-methyloctanoylamino)propionic acid methyl ester Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC(C)CCCCCC(=O)N[C@@H](CO)C(=O)OC

InChI

InChI=1S/C13H25NO4/c1-10(2)7-5-4-6-8-12(16)14-11(9-15)13(17)18-3/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m0/s1