2-(1-adamantylcarbonylamino)-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-(1-adamantylcarbonylamino)-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-(adamantane-1-carbonylamino)-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-(adamantane-1-carbonylamino)-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-(adamantane-1-carbonylamino)-3-mercapto-3-methyl-butyric acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)C2)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)C2)S

InChI

InChI=1S/C16H25NO3S/c1-15(2,21)12(13(18)19)17-14(20)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12,21H,3-8H2,1-2H3,(H,17,20)(H,18,19)