(3R,4R,5S)-4-acetamido-5-azanyl-3-[(3S)-decan-3-yl]oxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[(3S)-decan-3-yl]oxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1S)-1-ethyloctoxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(3S)-decan-3-yl]oxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(3S)-decan-3-yl]oxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1S)-1-ethyloctoxy]cyclohexene-1-carboxylic acid Formula: C19H34N2O4 MolecularWeight: 354.48426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O4/c1-4-6-7-8-9-10-15(5-2)25-17-12-14(19(23)24)11-16(20)18(17)21-13(3)22/h12,15-18H,4-11,20H2,1-3H3,(H,21,22)(H,23,24)/t15-,16-,17+,18+/m0/s1