CID 86574949
Wmewdreieelakkaeelakkaeelakkaeelakk
Structural Information
- Molecular Formula
- C133H233N35O44
- SMILES
- C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)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](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)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](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
- InChI
- InChI=1S/C133H233N35O44/c1-68(2)64-95(165-125(203)90(44-52-103(177)178)157-114(192)79(142)40-48-99(169)170)129(207)146-75(12)107(185)150-83(35-19-27-59-137)118(196)158-80(32-16-24-56-134)115(193)143-72(9)111(189)154-87(41-49-100(171)172)122(200)161-91(45-53-104(179)180)126(204)166-96(65-69(3)4)130(208)147-76(13)108(186)151-84(36-20-28-60-138)119(197)159-81(33-17-25-57-135)116(194)144-73(10)112(190)155-88(42-50-101(173)174)123(201)162-92(46-54-105(181)182)127(205)167-97(66-70(5)6)131(209)148-77(14)109(187)152-85(37-21-29-61-139)120(198)160-82(34-18-26-58-136)117(195)145-74(11)113(191)156-89(43-51-102(175)176)124(202)163-93(47-55-106(183)184)128(206)168-98(67-71(7)8)132(210)149-78(15)110(188)153-86(38-22-30-62-140)121(199)164-94(133(211)212)39-23-31-63-141/h68-98H,16-67,134-142H2,1-15H3,(H,143,193)(H,144,194)(H,145,195)(H,146,207)(H,147,208)(H,148,209)(H,149,210)(H,150,185)(H,151,186)(H,152,187)(H,153,188)(H,154,189)(H,155,190)(H,156,191)(H,157,192)(H,158,196)(H,159,197)(H,160,198)(H,161,200)(H,162,201)(H,163,202)(H,164,199)(H,165,203)(H,166,204)(H,167,205)(H,168,206)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,211,212)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1
- InChIKey
- FFPQDQQWFILKQA-BFBZIVJHSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3025.7143 | 510.2 |
[M+Na]+ | 3047.6962 | 490.5 |
[M-H]- | 3023.6997 | 504.9 |
[M+NH4]+ | 3042.7408 | 495.0 |
[M+K]+ | 3063.6702 | 488.0 |
[M+H-H2O]+ | 3007.7043 | 488.5 |
[M+HCOO]- | 3069.7052 | 487.6 |
[M+CH3COO]- | 3083.7209 | 481.9 |
[M+Na-2H]- | 3045.6817 | 493.6 |
[M]+ | 3024.7065 | 434.9 |
[M]- | 3024.7075 | 434.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.