dimethyl (2S)-2-[[(2S)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-(1-adamantylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)-4-methylsulfanyl-butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)-4-methylsulfanylbutanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)-4-(methylthio)butanoyl]amino]glutaric acid dimethyl ester Formula: C23H36N2O6S MolecularWeight: 468.60674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O6S/c1-30-19(26)5-4-18(21(28)31-2)24-20(27)17(6-7-32-3)25-22(29)23-11-14-8-15(12-23)10-16(9-14)13-23/h14-18H,4-13H2,1-3H3,(H,24,27)(H,25,29)/t14?,15?,16?,17-,18-,23?/m0/s1