CID 155802179
Aeruginozamide aeg657
Structural Information
- Molecular Formula
- C36H43N5O5S
- SMILES
- CC(C)(C=C)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)N4CCCC4C5=NC(=CS5)C(=O)O
- InChI
- InChI=1S/C36H43N5O5S/c1-4-36(2,3)39-26(21-24-13-7-5-8-14-24)31(42)37-27(22-25-15-9-6-10-16-25)33(43)41-20-12-18-30(41)34(44)40-19-11-17-29(40)32-38-28(23-47-32)35(45)46/h4-10,13-16,23,26-27,29-30,39H,1,11-12,17-22H2,2-3H3,(H,37,42)(H,45,46)
- InChIKey
- LPWPMGUNOGYLFZ-UHFFFAOYSA-N
- Compound name
- 2-[1-[1-[2-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 658.30574 | 249.4 |
[M+Na]+ | 680.28768 | 244.4 |
[M-H]- | 656.29118 | 259.5 |
[M+NH4]+ | 675.33228 | 248.5 |
[M+K]+ | 696.26162 | 242.1 |
[M+H-H2O]+ | 640.29572 | 241.3 |
[M+HCOO]- | 702.29666 | 254.0 |
[M+CH3COO]- | 716.31231 | 267.6 |
[M+Na-2H]- | 678.27313 | 238.3 |
[M]+ | 657.29791 | 247.5 |
[M]- | 657.29901 | 247.5 |
Literature stripe
Patent stripe
No patent data available for this compound.