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

Systemtic Name: methyl (2S)-2-(1-adamantylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl (2S)-2-(1-adamantylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-(1-adamantylamino)-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(1-adamantylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H25N3O2/c1-22-16(21)15(5-14-9-18-10-19-14)20-17-6-11-2-12(7-17)4-13(3-11)8-17/h9-13,15,20H,2-8H2,1H3,(H,18,19)/t11?,12?,13?,15-,17?/m0/s1