2-[4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C27H40N3O4+ MolecularWeight: 470.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H39N3O4/c1-4-30(5-2)10-11-34-25(32)22-6-8-23(9-7-22)29-24(31)18(3)28-26(33)27-15-19-12-20(16-27)14-21(13-19)17-27/h6-9,18-21H,4-5,10-17H2,1-3H3,(H,28,33)(H,29,31)/p+1/t18-,19?,20?,21?,27?/m0/s1