(2S)-2-[[(E,3R)-3-methylhept-4-enoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[[(E,3R)-3-methylhept-4-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[(E,3R)-3-methylhept-4-enoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[(E,3R)-3-methyl-1-oxohept-4-enyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[(E,3R)-3-methylhept-4-enoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-keto-2-[[(E,3R)-3-methylhept-4-enoyl]amino]valeric acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-3-4-6-10(2)9-12(16)14-11(13(17)18)7-5-8-15/h4,6,8,10-11H,3,5,7,9H2,1-2H3,(H,14,16)(H,17,18)/b6-4+/t10-,11-/m0/s1