1-[3-[2-[[2-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]carbonylamino]-6-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[3-[2-[[2-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]carbonylamino]-6-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[3-[2-[[2-[(4-azido-2,3,5,6-tetrafluoro-benzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[3-[2-[[2-[[(4-azido-2,3,5,6-tetrafluorophenyl)-oxomethyl]amino]-1-oxo-6-[[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexyl]amino]hexyl]amino]ethyldisulfanyl]-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[3-[2-[[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 1-[3-[2-[[2-[(4-azido-2,3,5,6-tetrafluoro-benzoyl)amino]-6-[6-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C38H50F4N10O12S4 MolecularWeight: 1043.117013

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)NC(=O)C4=C(C(=C(C(=C4F)F)N=[N+]=[N-])F)F)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCSSCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)NC(=O)C4=C(C(=C(C(=C4F)F)N=[N+]=[N-])F)F)S(=O)(=O)O

InChI

InChI=1S/C38H50F4N10O12S4/c39-29-28(30(40)32(42)34(31(29)41)50-51-43)36(58)47-20(35(57)46-15-17-67-66-16-12-27(56)64-52-26(55)18-23(37(52)59)68(61,62)63)8-5-7-14-45-24(53)10-2-1-6-13-44-25(54)11-4-3-9-22-33-21(19-65-22)48-38(60)49-33/h20-23,33H,1-19H2,(H,44,54)(H,45,53)(H,46,57)(H,47,58)(H2,48,49,60)(H,61,62,63)