methyl (2R)-2-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4S/c1-13(2)18(19(25)23-17(5-6-29-4)20(26)28-3)24-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h13-18H,5-12H2,1-4H3,(H,23,25)(H,24,27)/t14?,15?,16?,17-,18-,22?/m1/s1