CID 171990453
Cyanopeptolin cp1013c
Structural Information
- Molecular Formula
- C52H67N7O14
- SMILES
- CCCC(=O)NC(CCC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)C(NC1=O)CC3=CC=C(C=C3)O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)OC)C(C)C)C
- InChI
- InChI=1S/C52H67N7O14/c1-7-11-41(61)53-36(23-25-43(63)64)46(65)57-45-30(4)73-52(71)44(29(2)3)56-48(67)39(27-33-16-20-35(72-6)21-17-33)58(5)51(70)40(28-31-12-9-8-10-13-31)59-42(62)24-22-37(50(59)69)54-47(66)38(55-49(45)68)26-32-14-18-34(60)19-15-32/h8-10,12-21,29-30,36-40,42,44-45,60,62H,7,11,22-28H2,1-6H3,(H,53,61)(H,54,66)(H,55,68)(H,56,67)(H,57,65)(H,63,64)
- InChIKey
- VWLGICGUJFTLGH-UHFFFAOYSA-N
- Compound name
- 5-[[2-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(butanoylamino)-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1014.4819 | 311.7 |
[M+Na]+ | 1036.4638 | 314.3 |
[M-H]- | 1012.4673 | 305.3 |
[M+NH4]+ | 1031.5084 | 310.0 |
[M+K]+ | 1052.4378 | 292.1 |
[M+H-H2O]+ | 996.47186 | 283.2 |
[M+HCOO]- | 1058.4728 | 310.1 |
[M+CH3COO]- | 1072.4885 | 312.2 |
[M+Na-2H]- | 1034.4493 | 325.0 |
[M]+ | 1013.4741 | 328.8 |
[M]- | 1013.4751 | 328.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.