(2S)-3-methyl-2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid Openeye Name: (2S)-3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid CAS Name: (2S)-3-methyl-2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]pentanoic acid IUPAC Name: (2S)-3-methyl-2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-methyl-valeric acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC=C1C=CC=CC1=O

Isomeric SMILES

CCC(C)[C@@H](C(=O)O)N/C=C/1\C=CC=CC1=O

InChI

InChI=1S/C13H17NO3/c1-3-9(2)12(13(16)17)14-8-10-6-4-5-7-11(10)15/h4-9,12,14H,3H2,1-2H3,(H,16,17)/b10-8+/t9?,12-/m0/s1