(2S)-5-azanyl-2-(1,3-benzodioxol-5-ylcarbonylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-(1,3-benzodioxol-5-ylcarbonylamino)-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoate Traditional Name: (2S)-5-amino-5-keto-2-(piperonyloylamino)valerate Formula: C13H13N2O6- MolecularWeight: 293.25212

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H14N2O6/c14-11(16)4-2-8(13(18)19)15-12(17)7-1-3-9-10(5-7)21-6-20-9/h1,3,5,8H,2,4,6H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t8-/m0/s1