[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

InChI

InChI=1S/C16H21N3O6S/c1-26-5-4-11(19-16(17)22)15(21)23-8-14(20)18-7-10-2-3-12-13(6-10)25-9-24-12/h2-3,6,11H,4-5,7-9H2,1H3,(H,18,20)(H3,17,19,22)/t11-/m1/s1