CID 16129920
Chembl2008688
Structural Information
- Molecular Formula
- C58H71N21O10
- SMILES
- CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCC(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C)C)C
- InChI
- InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-74(41)5)64-54(85)43-24-37(30-76(43)7)66-56(87)45-26-39(32-78(45)9)68-58(89)50-70-46(33-79(50)10)69-48(81)13-11-15-61-51(82)40-21-34(27-73(40)4)63-53(84)42-23-36(29-75(42)6)65-55(86)44-25-38(31-77(44)8)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,84)(H,64,85)(H,65,86)(H,66,87)(H,67,88)(H,68,89)(H,69,81)
- InChIKey
- SOJKDCSKWPDPSS-UHFFFAOYSA-N
- Compound name
- N-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1222.5766 | 327.7 |
[M+Na]+ | 1244.5585 | 334.4 |
[M-H]- | 1220.5620 | 328.5 |
[M+NH4]+ | 1239.6031 | 331.1 |
[M+K]+ | 1260.5325 | 337.1 |
[M+H-H2O]+ | 1204.5666 | 306.0 |
[M+HCOO]- | 1266.5675 | 329.1 |
[M+CH3COO]- | 1280.5832 | 329.4 |
[M+Na-2H]- | 1242.5440 | 330.9 |
[M]+ | 1221.5688 | 368.0 |
[M]- | 1221.5698 | 368.0 |