(2R)-2-[[(E)-but-2-enoyl]amino]-4-methylsulfonyl-butanoate

Systemtic Name: (2R)-2-[[(E)-but-2-enoyl]amino]-4-methylsulfonyl-butanoate Openeye Name: (2R)-2-[[(E)-but-2-enoyl]amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-4-methylsulfonyl-2-[[(E)-1-oxobut-2-enyl]amino]butanoate IUPAC Name: (2R)-2-[[(E)-but-2-enoyl]amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-2-[[(E)-but-2-enoyl]amino]-4-mesyl-butyrate Formula: C9H14NO5S- MolecularWeight: 248.27616

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC(CCS(=O)(=O)C)C(=O)[O-]

Isomeric SMILES

C/C=C/C(=O)N[C@H](CCS(=O)(=O)C)C(=O)[O-]

InChI

InChI=1S/C9H15NO5S/c1-3-4-8(11)10-7(9(12)13)5-6-16(2,14)15/h3-4,7H,5-6H2,1-2H3,(H,10,11)(H,12,13)/p-1/b4-3+/t7-/m1/s1