CID 72937
Viscosin
Structural Information
- Molecular Formula
- C54H95N9O16
- SMILES
- CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)[C@@H](C)CC)C)O
- InChI
- InChI=1S/C54H95N9O16/c1-13-15-16-17-18-19-34(66)25-41(67)55-36(22-28(3)4)47(71)56-35(20-21-42(68)69)46(70)63-45-33(12)79-54(78)44(32(11)14-2)62-51(75)40(27-65)60-48(72)37(23-29(5)6)57-50(74)39(26-64)59-49(73)38(24-30(7)8)58-52(76)43(31(9)10)61-53(45)77/h28-40,43-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,73)(H,60,72)(H,61,77)(H,62,75)(H,63,70)(H,68,69)/t32-,33+,34+,35+,36-,37-,38-,39+,40+,43+,44-,45+/m0/s1
- InChIKey
- QYEWAEAWMXRMHB-YFTUCIGFSA-N
- Compound name
- (4R)-5-[[(3S,6R,9S,12R,15S,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1126.6970 | 335.4 |
[M+Na]+ | 1148.6789 | 329.6 |
[M-H]- | 1124.6824 | 330.0 |
[M+NH4]+ | 1143.7235 | 330.7 |
[M+K]+ | 1164.6529 | 309.7 |
[M+H-H2O]+ | 1108.6870 | 304.5 |
[M+HCOO]- | 1170.6879 | 330.0 |
[M+CH3COO]- | 1184.7036 | 331.4 |
[M+Na-2H]- | 1146.6644 | 352.9 |
[M]+ | 1125.6892 | 343.0 |
[M]- | 1125.6902 | 343.0 |