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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C15H27N3O4S MolecularWeight: 345.45758

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)N

InChI

InChI=1S/C15H27N3O4S/c1-23-10-7-12(17-15(16)21)14(20)22-11-13(19)18-8-5-3-2-4-6-9-18/h12H,2-11H2,1H3,(H3,16,17,21)/t12-/m1/s1