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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)N

InChI

InChI=1S/C19H30N4O5S/c1-29-3-2-14(21-17(20)26)16(25)28-10-15(24)22-18(27)23-19-7-11-4-12(8-19)6-13(5-11)9-19/h11-14H,2-10H2,1H3,(H3,20,21,26)(H2,22,23,24,27)/t11?,12?,13?,14-,19?/m1/s1