2-[[2-(1-adamantyl)ethanoylamino]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-(1-adamantyl)ethanoylamino]methylsulfanyl]ethanoic acid Openeye Name: 2-[[[2-(1-adamantyl)acetyl]amino]methylsulfanyl]acetic acid CAS Name: 2-[[[2-(1-adamantyl)-1-oxoethyl]amino]methylthio]acetic acid IUPAC Name: 2-[[[2-(1-adamantyl)acetyl]amino]methylsulfanyl]acetic acid Traditional Name: 2-[[[2-(1-adamantyl)acetyl]amino]methylthio]acetic acid Formula: C15H23NO3S MolecularWeight: 297.41302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCSCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCSCC(=O)O

InChI

InChI=1S/C15H23NO3S/c17-13(16-9-20-8-14(18)19)7-15-4-10-1-11(5-15)3-12(2-10)6-15/h10-12H,1-9H2,(H,16,17)(H,18,19)