methyl (2S)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-4-(methylthio)butyric acid methyl ester Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H27NO3S/c1-21-15(19)14(3-4-22-2)18-16(20)17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,3-10H2,1-2H3,(H,18,20)/t11?,12?,13?,14-,17?/m0/s1