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

Systemtic Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-butyrate Formula: C17H19N2O6- MolecularWeight: 347.34256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-9(2)15(17(22)23)19-16(21)12(18-10(3)20)6-11-4-5-13-14(7-11)25-8-24-13/h4-7,9,15H,8H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)/p-1/b12-6+/t15-/m1/s1