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

Systemtic Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-butyrate Formula: C22H21N2O6- MolecularWeight: 409.41194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])NC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6/c1-13(2)19(22(27)28)24-21(26)16(23-20(25)15-6-4-3-5-7-15)10-14-8-9-17-18(11-14)30-12-29-17/h3-11,13,19H,12H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/p-1/b16-10+/t19-/m1/s1