2-[[4-(1-adamantyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(1-adamantyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1-adamantyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(1-adamantyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C22H29NO3S MolecularWeight: 387.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-27-7-6-19(21(25)26)23-20(24)17-2-4-18(5-3-17)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16,19H,6-13H2,1H3,(H,23,24)(H,25,26)