![CYCLO-[D-ALA-THZ-L-TRP-L-(4-O-ME)-TRP-GLY-D-ABU-L-(PH)-SEC-SAR]](/api/spectrum/Ab5pgiDQuuC/structure.png?h=300&w=458 "CYCLO-[D-ALA-THZ-L-TRP-L-(4-O-ME)-TRP-GLY-D-ABU-L-(PH)-SEC-SAR]")
| SpectraBase Compound ID | 2eXMWFIpVKz |
|---|---|
| InChI | InChI=1S/C47H52N10O8SSe/c1-5-31-43(61)55-37(25-67-29-12-7-6-8-13-29)47(64)57(3)23-40(59)51-26(2)46-56-36(24-66-46)45(63)54-35(18-27-20-48-32-15-10-9-14-30(27)32)44(62)53-34(42(60)50-22-39(58)52-31)19-28-21-49-33-16-11-17-38(65-4)41(28)33/h6-17,20-21,24,26,31,34-35,37,48-49H,5,18-19,22-23,25H2,1-4H3,(H,50,60)(H,51,59)(H,52,58)(H,53,62)(H,54,63)(H,55,61)/t26-,31-,34+,35+,37+/m1/s1 |
| InChIKey | TWUQQPBWLZEZBC-CYZFMPTBSA-N |
| Mol Weight | 996.0 g/mol |
| Molecular Formula | C47H52N10O8SSe |
| Exact Mass | 996.285552 g/mol |
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| SpectraBase Spectrum ID | Ab5pgiDQuuC |
|---|---|
| Name | CYCLO-[D-ALA-THZ-L-TRP-L-(4-O-ME)-TRP-GLY-D-ABU-L-(PH)-SEC-SAR] |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H52N10O8SSe |
| InChI | InChI=1S/C47H52N10O8SSe/c1-5-31-43(61)55-37(25-67-29-12-7-6-8-13-29)47(64)57(3)23-40(59)51-26(2)46-56-36(24-66-46)45(63)54-35(18-27-20-48-32-15-10-9-14-30(27)32)44(62)53-34(42(60)50-22-39(58)52-31)19-28-21-49-33-16-11-17-38(65-4)41(28)33/h6-17,20-21,24,26,31,34-35,37,48-49H,5,18-19,22-23,25H2,1-4H3,(H,50,60)(H,51,59)(H,52,58)(H,53,62)(H,54,63)(H,55,61)/t26-,31-,34+,35+,37+/m1/s1 |
| InChIKey | TWUQQPBWLZEZBC-CYZFMPTBSA-N |
| Literature Reference Author | S.V.LEY,A.PRIOUR,C.HEUSSER |
| Literature Reference Citation | ORG.LETTERS,4,711(2002) |
| Literature Reference DOI | 10.1021/ol017184m |
| Molecular Weight | 996.012 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25699 |