CID 16197745
Akkawkkakkaakkakkwakk
Structural Information
- Molecular Formula
- C115H201N35O22
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
- InChI
- InChI=1S/C115H201N35O22/c1-68(128)95(151)137-85(44-16-28-56-120)106(162)142-82(41-13-25-53-117)105(161)135-74(7)101(157)149-94(65-76-67-130-80-39-11-9-37-78(76)80)114(170)147-90(49-21-33-61-125)110(166)145-84(43-15-27-55-119)104(160)134-71(4)98(154)139-87(46-18-30-58-122)108(164)143-81(40-12-24-52-116)102(158)132-69(2)96(152)131-70(3)97(153)138-86(45-17-29-57-121)107(163)144-83(42-14-26-54-118)103(159)133-72(5)99(155)140-88(47-19-31-59-123)109(165)146-91(50-22-34-62-126)112(168)150-93(64-75-66-129-79-38-10-8-36-77(75)79)113(169)136-73(6)100(156)141-89(48-20-32-60-124)111(167)148-92(115(171)172)51-23-35-63-127/h8-11,36-39,66-74,81-94,129-130H,12-35,40-65,116-128H2,1-7H3,(H,131,152)(H,132,158)(H,133,159)(H,134,160)(H,135,161)(H,136,169)(H,137,151)(H,138,153)(H,139,154)(H,140,155)(H,141,156)(H,142,162)(H,143,164)(H,144,163)(H,145,166)(H,146,165)(H,147,170)(H,148,167)(H,149,157)(H,150,168)(H,171,172)/t68-,69-,70-,71-,72-,73-,74-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-/m0/s1
- InChIKey
- OLVCPOJTSKSUEK-RAEXAQRHSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2425.5759 | 375.0 |
[M+Na]+ | 2447.5578 | 353.5 |
[M-H]- | 2423.5613 | 373.2 |
[M+NH4]+ | 2442.6024 | 361.7 |
[M+K]+ | 2463.5318 | 357.7 |
[M+H-H2O]+ | 2407.5659 | 349.6 |
[M+HCOO]- | 2469.5668 | 357.0 |
[M+CH3COO]- | 2483.5825 | 354.6 |
[M+Na-2H]- | 2445.5433 | 392.5 |
[M]+ | 2424.5681 | 308.3 |
[M]- | 2424.5691 | 308.3 |
Literature stripe
Patent stripe
No patent data available for this compound.