(2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate

Systemtic Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate Openeye Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate CAS Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]butanoate Traditional Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]butyrate Formula: C16H17N2O6- MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-3-11(16(21)22)18-15(20)12(17-9(2)19)6-10-4-5-13-14(7-10)24-8-23-13/h4-7,11H,3,8H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/p-1/b12-6+/t11-/m1/s1