(2S)-2-[[(3S)-3-methylheptanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[(3S)-3-methylheptanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(3S)-3-methylheptanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[(3S)-3-methyl-1-oxoheptyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(3S)-3-methylheptanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-keto-2-[[(3S)-3-methylheptanoyl]amino]valeric acid Formula: C13H23NO4 MolecularWeight: 257.32602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(=O)NC(CCC=O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4/c1-3-4-6-10(2)9-12(16)14-11(13(17)18)7-5-8-15/h8,10-11H,3-7,9H2,1-2H3,(H,14,16)(H,17,18)/t10-,11-/m0/s1