(3R,4R,5S)-4-acetamido-5-azanyl-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1S)-1-(cyclohexylmethyl)propoxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(2S)-1-cyclohexylbutan-2-yl]oxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1S)-1-(cyclohexylmethyl)propoxy]cyclohexene-1-carboxylic acid Formula: C19H32N2O4 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)OC2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CC[C@@H](CC1CCCCC1)O[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C19H32N2O4/c1-3-15(9-13-7-5-4-6-8-13)25-17-11-14(19(23)24)10-16(20)18(17)21-12(2)22/h11,13,15-18H,3-10,20H2,1-2H3,(H,21,22)(H,23,24)/t15-,16-,17+,18+/m0/s1