(2S,3S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-(piperonylcarbamoylamino)valerate Formula: C15H19N2O5- MolecularWeight: 307.32176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H20N2O5/c1-3-9(2)13(14(18)19)17-15(20)16-7-10-4-5-11-12(6-10)22-8-21-11/h4-6,9,13H,3,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/p-1/t9-,13-/m0/s1