(2S)-N-(1-adamantylcarbamoyl)-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide

Systemtic Name: (2S)-N-(1-adamantylcarbamoyl)-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide Openeye Name: (2S)-N-(1-adamantylcarbamoyl)-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide CAS Name: (2S)-N-[(1-adamantylamino)-oxomethyl]-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide IUPAC Name: (2S)-N-(1-adamantylcarbamoyl)-2-[[(1S,2S)-2-methylcyclohexyl]amino]propanamide Traditional Name: (2S)-N-(1-adamantylcarbamoyl)-2-[[(1S,2S)-2-methylcyclohexyl]amino]propionamide Formula: C21H35N3O2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35N3O2/c1-13-5-3-4-6-18(13)22-14(2)19(25)23-20(26)24-21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18,22H,3-12H2,1-2H3,(H2,23,24,25,26)/t13-,14-,15?,16?,17?,18-,21?/m0/s1