[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H28N4O5S MolecularWeight: 388.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H28N4O5S/c1-10(25-14(22)12(8-9-26-2)19-15(17)23)13(21)20-16(24)18-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H3,17,19,23)(H2,18,20,21,24)/t10-,12+/m1/s1