PDB CCD ID: | SU3 | ||||||||||||
Number of entries in BioLiP: | 6 | ||||||||||||
Chemical formula: | C38 H55 N5 O9 S | ||||||||||||
InChI: | InChI=1S/C38H55N5O9S/c1-7-25-18-38(25,33(46)41-53(49,50)27-14-15-27)40-31(44)29-17-26-20-43(29)32(45)30(36(2,3)4)39-34(47)51-22-37(5,6)16-9-8-11-23-12-10-13-24-19-42(21-28(23)24)35(48)52-26/h10,12-13,25-27,29-30H,7-9,11,14-22H2,1-6H3,(H,39,47)(H,40,44)(H,41,46)/t25-,26-,29+,30-,38-/m1/s1 | ||||||||||||
InChIKey: | KUQWGLQLLVFLSM-ONAXAZCASA-N | ||||||||||||
SMILES: |
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Name: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide; vaniprevir; MK-7009 | ||||||||||||
ChEMBL: | CHEMBL4525964 | ||||||||||||
DrugBank: | DB11929 | ||||||||||||
ZINC: | ZINC000095627836 |