(2S)-N-(1-adamantyl)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide CAS Name: (2S)-N-(1-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propionamide Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NC23CC4CC(C2)CC(C4)C3)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)NC23CC4CC(C2)CC(C4)C3)N)C)O

InChI

InChI=1S/C21H30N2O2/c1-12-3-17(24)4-13(2)18(12)8-19(22)20(25)23-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,14-16,19,24H,5-11,22H2,1-2H3,(H,23,25)/t14?,15?,16?,19-,21?/m0/s1