0KJ

[(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate


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Chemical Component Summary

Name[(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Identifiers[(2S)-5-oxidanylidenepyrrolidin-2-yl]methyl N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl-[(2S)-2-methylbutyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate
FormulaC28 H36 N4 O6 S2
Molecular Weight588.739
TypeNON-POLYMER
Isomeric SMILESCC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4
InChIInChI=1S/C28H36N4O6S2/c1-3-19(2)15-32(40(36,37)22-10-11-23-26(14-22)39-18-29-23)16-25(33)24(13-20-7-5-4-6-8-20)31-28(35)38-17-21-9-12-27(34)30-21/h4-8,10-11,14,18-19,21,24-25,33H,3,9,12-13,15-17H2,1-2H3,(H,30,34)(H,31,35)/t19-,21-,24-,25+/m0/s1
InChIKeyCNYNOTFCYHOHBF-DFFQVNEFSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count4
Bond Count79
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 57411978
ChEMBL CHEMBL2165903