CID 60159565
Microviridin n
Structural Information
- Molecular Formula
- C88H116N18O24
- SMILES
- CC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CCC(NC(=O)C(NC(=O)C(NC(=O)C(CC(=O)O1)NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC2=O)CC4=CNC5=CC=CC=C54)CO)CC6=CNC7=CC=CC=C76)CCC(=O)OC)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)O)CC(C)C)NC(=O)C(C)NC(=O)C9CCCN9C(=O)C1CCCN1C(=O)C(C)NC(=O)C
- InChI
- InChI=1S/C88H116N18O24/c1-45(2)37-61-78(117)94-58-21-12-13-33-89-70(110)31-29-59(77(116)101-65(88(127)128)38-50-25-27-53(109)28-26-50)95-76(115)60(30-32-71(111)129-7)96-79(118)62(39-51-42-90-56-19-10-8-17-54(51)56)97-80(119)63(98-81(120)66(44-107)102-83(122)68-23-14-34-104(68)86(125)64(100-75(58)114)40-52-43-91-57-20-11-9-18-55(52)57)41-72(112)130-48(5)73(84(123)99-61)103-74(113)46(3)93-82(121)67-22-15-35-105(67)87(126)69-24-16-36-106(69)85(124)47(4)92-49(6)108/h8-11,17-20,25-28,42-43,45-48,58-69,73,90-91,107,109H,12-16,21-24,29-41,44H2,1-7H3,(H,89,110)(H,92,108)(H,93,121)(H,94,117)(H,95,115)(H,96,118)(H,97,119)(H,98,120)(H,99,123)(H,100,114)(H,101,116)(H,102,122)(H,103,113)(H,127,128)
- InChIKey
- BCGKTBJHEZXJFM-UHFFFAOYSA-N
- Compound name
- 2-[[38-[2-[[1-[1-(2-acetamidopropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-31-(hydroxymethyl)-4,22-bis(1H-indol-3-ylmethyl)-7-(3-methoxy-3-oxopropyl)-37-methyl-41-(2-methylpropyl)-2,5,8,13,20,23,29,32,35,39,42-undecaoxo-36-oxa-3,6,9,14,21,24,30,33,40,43-decazatricyclo[17.14.10.024,28]tritetracontane-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1809.8483 | 293.9 |
[M+Na]+ | 1831.8302 | 295.9 |
[M-H]- | 1807.8337 | 288.2 |
[M+NH4]+ | 1826.8748 | 291.5 |
[M+K]+ | 1847.8042 | 285.0 |
[M+H-H2O]+ | 1791.8383 | 265.0 |
[M+HCOO]- | 1853.8392 | 291.0 |
[M+CH3COO]- | 1867.8549 | 292.1 |
[M+Na-2H]- | 1829.8157 | 295.8 |
[M]+ | 1808.8405 | 301.3 |
[M]- | 1808.8415 | 301.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.