(4-methoxyphenyl)methyl (2S,4S)-2-[(morpholin-4-ylsulfonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(morpholin-4-ylsulfonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(morpholinosulfonylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(4-morpholinylsulfonylamino)methyl]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,4S)-2-[(morpholin-4-ylsulfonylamino)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(morpholinosulfonylamino)methyl]pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C18H27N3O6S2 MolecularWeight: 445.55348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)N2CC(CC2CNS(=O)(=O)N3CCOCC3)S

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)N2C[C@H](C[C@H]2CNS(=O)(=O)N3CCOCC3)S

InChI

InChI=1S/C18H27N3O6S2/c1-25-16-4-2-14(3-5-16)13-27-18(22)21-12-17(28)10-15(21)11-19-29(23,24)20-6-8-26-9-7-20/h2-5,15,17,19,28H,6-13H2,1H3/t15-,17-/m0/s1