(4-methoxyphenyl)methyl (2S,4S)-2-[[(2-azanyl-2-oxidanylidene-ethyl)sulfonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(2-azanyl-2-oxidanylidene-ethyl)sulfonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(2-amino-2-oxo-ethyl)sulfonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[(2-amino-2-oxoethyl)sulfonylamino]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-[[(2-amino-2-oxoethyl)sulfonylamino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[(2-amino-2-keto-ethyl)sulfonylamino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C16H23N3O6S2 MolecularWeight: 417.50032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CC(CC2CNS(=O)(=O)CC(=O)N)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2C[C@H](C[C@H]2CNS(=O)(=O)CC(=O)N)S

InChI

InChI=1S/C16H23N3O6S2/c1-24-13-4-2-11(3-5-13)9-25-16(21)19-8-14(26)6-12(19)7-18-27(22,23)10-15(17)20/h2-5,12,14,18,26H,6-10H2,1H3,(H2,17,20)/t12-,14-/m0/s1