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

Systemtic Name: (4R,5S)-4-acetamido-5-azanyl-3-[(3R)-1-phenylpentan-3-yl]oxy-cyclohexene-1-carboxylic acid Openeye Name: (4R,5S)-4-acetamido-5-amino-3-[(1R)-1-ethyl-3-phenyl-propoxy]cyclohexene-1-carboxylic acid CAS Name: (4R,5S)-4-acetamido-5-amino-3-[(3R)-1-phenylpentan-3-yl]oxy-1-cyclohexenecarboxylic acid IUPAC Name: (4R,5S)-4-acetamido-5-amino-3-[(3R)-1-phenylpentan-3-yl]oxycyclohexene-1-carboxylic acid Traditional Name: (4R,5S)-4-acetamido-5-amino-3-[(1R)-1-ethyl-3-phenyl-propoxy]cyclohexene-1-carboxylic acid Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=CC=C1)OC2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CC[C@H](CCC1=CC=CC=C1)OC2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C20H28N2O4/c1-3-16(10-9-14-7-5-4-6-8-14)26-18-12-15(20(24)25)11-17(21)19(18)22-13(2)23/h4-8,12,16-19H,3,9-11,21H2,1-2H3,(H,22,23)(H,24,25)/t16-,17+,18?,19-/m1/s1