prop-2-enyl (2R)-2-acetamido-3-[2,4-dideuterio-6-oxidanyl-3-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoate

Systemtic Name: prop-2-enyl (2R)-2-acetamido-3-[2,4-dideuterio-6-oxidanyl-3-(2,2,2-trideuterioethanoylamino)phenyl]sulfanyl-propanoate Openeye Name: allyl (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterio-1-oxoethyl)amino]phenyl]thio]propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-acetamido-3-[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[2,4-dideuterio-6-hydroxy-3-[(2,2,2-trideuterioacetyl)amino]phenyl]thio]propionic acid allyl ester Formula: C16H20N2O5S MolecularWeight: 357.436209

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)OCC=C)NC(=O)C

Isomeric SMILES

[2H]C1=CC(=C(C(=C1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)OCC=C)NC(=O)C)O

InChI

InChI=1S/C16H20N2O5S/c1-4-7-23-16(22)13(18-11(3)20)9-24-15-8-12(17-10(2)19)5-6-14(15)21/h4-6,8,13,21H,1,7,9H2,2-3H3,(H,17,19)(H,18,20)/t13-/m0/s1/i2D3,5D,8D