CID 46197258
Microcyclamide gl628
Structural Information
- Molecular Formula
- C27H32N8O6S2
- SMILES
- CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N3[C@@H](C[C@@]4([C@H]3NC(=O)N4C)OC)C5=NC(=CS5)C(=O)N[C@H](C6=NC(=C(O6)C)C(=O)N1)C
- InChI
- InChI=1S/C27H32N8O6S2/c1-7-11(2)17-23-30-15(10-43-23)24(38)35-16(8-27(40-6)25(35)33-26(39)34(27)5)22-29-14(9-42-22)19(36)28-12(3)21-32-18(13(4)41-21)20(37)31-17/h9-12,16-17,25H,7-8H2,1-6H3,(H,28,36)(H,31,37)(H,33,39)/t11-,12-,16-,17-,25-,27-/m0/s1
- InChIKey
- ZMCZEOONQQHJQK-HURATCRKSA-N
- Compound name
- (2S,4S,8S,15S,22S)-15-[(2S)-butan-2-yl]-4-methoxy-5,19,22-trimethyl-20-oxa-13,27-dithia-5,7,9,16,23,28,29,30-octazahexacyclo[23.2.1.111,14.118,21.02,9.04,8]triaconta-1(28),11,14(30),18,21(29),25-hexaene-6,10,17,24-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 629.19588 | 226.8 |
[M+Na]+ | 651.17782 | 236.7 |
[M-H]- | 627.18132 | 224.9 |
[M+NH4]+ | 646.22242 | 232.8 |
[M+K]+ | 667.15176 | 237.8 |
[M+H-H2O]+ | 611.18586 | 234.9 |
[M+HCOO]- | 673.18680 | 220.7 |
[M+CH3COO]- | 687.20245 | 230.8 |
[M+Na-2H]- | 649.16327 | 204.7 |
[M]+ | 628.18805 | 234.9 |
[M]- | 628.18915 | 234.9 |
Literature stripe
Patent stripe
No patent data available for this compound.