2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid CAS Name: 2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1C=CCCC1C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1C=CCCC1C(=O)O)N

InChI

InChI=1S/C13H22N2O3/c1-3-8(2)11(14)12(16)15-10-7-5-4-6-9(10)13(17)18/h5,7-11H,3-4,6,14H2,1-2H3,(H,15,16)(H,17,18)/t8-,9?,10?,11-/m0/s1