(3R,4R,5S)-4-azanyl-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-azanyl-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-5-(allylamino)-4-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-amino-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-amino-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-5-(allylamino)-4-amino-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid Formula: C15H26N2O3 MolecularWeight: 282.37854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1N)NCC=C)C(=O)O

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N)NCC=C)C(=O)O

InChI

InChI=1S/C15H26N2O3/c1-4-7-17-12-8-10(15(18)19)9-13(14(12)16)20-11(5-2)6-3/h4,9,11-14,17H,1,5-8,16H2,2-3H3,(H,18,19)/t12-,13+,14+/m0/s1