[(2S)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35N3O2/c1-27(2)16-21(20-6-4-3-5-7-20)26-23(29)15-25-22(28)14-24-11-17-8-18(12-24)10-19(9-17)13-24/h3-7,17-19,21H,8-16H2,1-2H3,(H,25,28)(H,26,29)/p+1/t17?,18?,19?,21-,24?/m1/s1