CID 16197742
Kakakakakakakakakakak
Structural Information
- Molecular Formula
- C96H184N32O22
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C96H184N32O22/c1-55(109-86(139)65(108)33-11-22-44-97)76(129)119-66(34-12-23-45-98)87(140)110-56(2)77(130)120-67(35-13-24-46-99)88(141)111-57(3)78(131)121-68(36-14-25-47-100)89(142)112-58(4)79(132)122-69(37-15-26-48-101)90(143)113-59(5)80(133)123-70(38-16-27-49-102)91(144)114-60(6)81(134)124-71(39-17-28-50-103)92(145)115-61(7)82(135)125-72(40-18-29-51-104)93(146)116-62(8)83(136)126-73(41-19-30-52-105)94(147)117-63(9)84(137)127-74(42-20-31-53-106)95(148)118-64(10)85(138)128-75(96(149)150)43-21-32-54-107/h55-75H,11-54,97-108H2,1-10H3,(H,109,139)(H,110,140)(H,111,141)(H,112,142)(H,113,143)(H,114,144)(H,115,145)(H,116,146)(H,117,147)(H,118,148)(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H,127,137)(H,128,138)(H,149,150)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
- InChIKey
- ZPKKNDAUTBBXEF-XADXARLJSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2138.4336 | 383.1 |
[M+Na]+ | 2160.4155 | 358.9 |
[M-H]- | 2136.4190 | 381.7 |
[M+NH4]+ | 2155.4601 | 369.1 |
[M+K]+ | 2176.3895 | 363.0 |
[M+H-H2O]+ | 2120.4236 | 356.9 |
[M+HCOO]- | 2182.4245 | 364.7 |
[M+CH3COO]- | 2196.4402 | 362.3 |
[M+Na-2H]- | 2158.4010 | 403.0 |
[M]+ | 2137.4258 | 314.1 |
[M]- | 2137.4268 | 314.1 |