(2S,3S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]pentanoate IUPAC Name: (2S,3S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-methyl-valerate Formula: C12H18NO3- MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)/C=C/C=C/C

InChI

InChI=1S/C12H19NO3/c1-4-6-7-8-10(14)13-11(12(15)16)9(3)5-2/h4,6-9,11H,5H2,1-3H3,(H,13,14)(H,15,16)/p-1/b6-4+,8-7+/t9-,11-/m0/s1