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

Systemtic Name: (2S)-N-(2-adamantyl)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanamide Openeye Name: (2S)-N-(2-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide CAS Name: (2S)-N-(2-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide IUPAC Name: (2S)-N-(2-adamantyl)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Traditional Name: (2S)-N-(2-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)NC2C3CC4CC(C3)CC2C4)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)N)C)O

InChI

InChI=1S/C21H30N2O2/c1-11-3-17(24)4-12(2)18(11)10-19(22)21(25)23-20-15-6-13-5-14(8-15)9-16(20)7-13/h3-4,13-16,19-20,24H,5-10,22H2,1-2H3,(H,23,25)/t13?,14?,15?,16?,19-,20?/m0/s1