methyl (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(cyclohexylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC2CCCCC2

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NC2CCCCC2

InChI

InChI=1S/C13H21N3O2/c1-18-13(17)12(7-11-8-14-9-15-11)16-10-5-3-2-4-6-10/h8-10,12,16H,2-7H2,1H3,(H,14,15)/t12-/m0/s1