(2-methyl-5-propan-2-yl-cyclohexyl) (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate dihydrochloride

Systemtic Name: (2-methyl-5-propan-2-yl-cyclohexyl) (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoate dihydrochloride Openeye Name: (5-isopropyl-2-methyl-cyclohexyl) (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate dihydrochloride CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid (2-methyl-5-propan-2-ylcyclohexyl) ester dihydrochloride IUPAC Name: (2-methyl-5-propan-2-ylcyclohexyl) (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate dihydrochloride Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid (5-isopropyl-2-methyl-cyclohexyl) ester dihydrochloride Formula: C16H29Cl2N3O2 MolecularWeight: 366.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C(CC2=CN=CN2)N)C(C)C.Cl.Cl

Isomeric SMILES

CC1CCC(CC1OC(=O)[C@H](CC2=CN=CN2)N)C(C)C.Cl.Cl

InChI

InChI=1S/C16H27N3O2.2ClH/c1-10(2)12-5-4-11(3)15(6-12)21-16(20)14(17)7-13-8-18-9-19-13;;/h8-12,14-15H,4-7,17H2,1-3H3,(H,18,19);2*1H/t11?,12?,14-,15?;;/m0../s1