methyl (2S,3R)-3-[(E)-3-azanylbut-2-enoyl]oxy-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: methyl (2S,3R)-3-[(E)-3-azanylbut-2-enoyl]oxy-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: methyl (2S,3R)-3-[(E)-3-aminobut-2-enoyl]oxy-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S,3R)-3-[(E)-3-amino-1-oxobut-2-enoxy]-2-[(4-methylphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-[(E)-3-aminobut-2-enoyl]oxy-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S,3R)-3-[(E)-3-aminobut-2-enoyl]oxy-2-(tosylamino)butyric acid methyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)OC(=O)C=C(C)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C)OC(=O)/C=C(\C)/N)C(=O)OC

InChI

InChI=1S/C16H22N2O6S/c1-10-5-7-13(8-6-10)25(21,22)18-15(16(20)23-4)12(3)24-14(19)9-11(2)17/h5-9,12,15,18H,17H2,1-4H3/b11-9+/t12-,15+/m1/s1