methyl (2R)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)[C@@H](CCSC)NC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H32N2O4S/c1-26-19(25)16(3-4-27-2)22-18(24)12-21-17(23)11-20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16H,3-12H2,1-2H3,(H,21,23)(H,22,24)/t13?,14?,15?,16-,20?/m1/s1