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

Systemtic Name: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(prop-2-enylamino)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-(allylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)NCC=C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4/c1-5-8-18-14-9-12(17(21)22)10-15(16(14)19-11(4)20)23-13(6-2)7-3/h5,10,13-16,18H,1,6-9H2,2-4H3,(H,19,20)(H,21,22)/t14-,15+,16+/m0/s1