[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)N

InChI

InChI=1S/C19H31N3O4S/c1-27-3-2-15(22-18(20)25)17(24)26-10-16(23)21-11-19-7-12-4-13(8-19)6-14(5-12)9-19/h12-15H,2-11H2,1H3,(H,21,23)(H3,20,22,25)/t12?,13?,14?,15-,19?/m1/s1