[(2R)-1-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propan-2-yl] benzoate

Systemtic Name: [(2R)-1-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propan-2-yl] benzoate Openeye Name: [(1R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-1-methyl-ethyl] benzoate CAS Name: benzoic acid [(2R)-1-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-1-methyl-ethyl] ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C(CC1CCCCC1)N)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)C([C@@H](CC1CCCCC1)N)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O4/c1-14(26-20(25)16-10-6-3-7-11-16)13-22-19(24)18(23)17(21)12-15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17-18,23H,2,4-5,8-9,12-13,21H2,1H3,(H,22,24)/t14-,17-,18?/m1/s1