(3R,4R,5S)-4-acetamido-5-azanyl-3-[methyl(propyl)amino]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[methyl(propyl)amino]cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(propyl)amino]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(propyl)amino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(propyl)amino]cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[methyl(propyl)amino]cyclohexene-1-carboxylic acid Formula: C13H23N3O3 MolecularWeight: 269.34002

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

CCCN(C)[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C13H23N3O3/c1-4-5-16(3)11-7-9(13(18)19)6-10(14)12(11)15-8(2)17/h7,10-12H,4-6,14H2,1-3H3,(H,15,17)(H,18,19)/t10-,11+,12+/m0/s1