2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]propanoate Openeye Name: 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]amino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]propionate Formula: C20H31N2O4S- MolecularWeight: 395.53614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCC12CC3CC(C1)CC(C3)C2)CCSC(=O)C

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCC12CC3CC(C1)CC(C3)C2)CCSC(=O)C

InChI

InChI=1S/C20H32N2O4S/c1-13(18(24)25)21-19(26)22(5-6-27-14(2)23)4-3-20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17H,3-12H2,1-2H3,(H,21,26)(H,24,25)/p-1