2-[1-adamantyl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[1-adamantyl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[1-adamantyl-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[1-adamantyl-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[1-adamantyl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[1-adamantyl-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C16H25NO3S/c1-10(9-21)15(20)17(8-14(18)19)16-5-11-2-12(6-16)4-13(3-11)7-16/h10-13,21H,2-9H2,1H3,(H,18,19)