[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-25-3-2-14(20-17(19)23)16(22)24-10-15(21)18-7-11-4-12(8-18)6-13(5-11)9-18/h11-14H,2-10H2,1H3,(H3,19,20,23)/t11?,12?,13?,14-,18?/m0/s1