2-[[(2S)-2-(1-adamantyl)-2-[(4-phenylphenyl)carbonylamino]ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-phenylphenyl)carbonylamino]ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-(1-adamantyl)-1-oxo-2-[[oxo-(4-phenylphenyl)methyl]amino]ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-(1-adamantyl)-2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl-dimethyl-ammonium Formula: C29H38N3O2+ MolecularWeight: 460.63092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](C)CCNC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H37N3O2/c1-32(2)13-12-30-28(34)26(29-17-20-14-21(18-29)16-22(15-20)19-29)31-27(33)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-11,20-22,26H,12-19H2,1-2H3,(H,30,34)(H,31,33)/p+1/t20?,21?,22?,26-,29?/m1/s1