CID 16197747

Akkakkkakkakkkakkakkk

Structural Information

Molecular Formula
C108H212N36O22
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](CCCCN)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](CCCCN)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C108H212N36O22/c1-67(124)88(145)130-78(42-12-27-57-114)99(156)136-73(37-7-22-52-109)94(151)125-70(4)91(148)133-81(45-15-30-60-117)102(159)141-84(48-18-33-63-120)105(162)139-76(40-10-25-55-112)97(154)128-68(2)89(146)131-79(43-13-28-58-115)100(157)137-74(38-8-23-53-110)95(152)126-71(5)92(149)134-82(46-16-31-61-118)103(160)142-85(49-19-34-64-121)106(163)140-77(41-11-26-56-113)98(155)129-69(3)90(147)132-80(44-14-29-59-116)101(158)138-75(39-9-24-54-111)96(153)127-72(6)93(150)135-83(47-17-32-62-119)104(161)143-86(50-20-35-65-122)107(164)144-87(108(165)166)51-21-36-66-123/h67-87H,7-66,109-124H2,1-6H3,(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,155)(H,130,145)(H,131,146)(H,132,147)(H,133,148)(H,134,149)(H,135,150)(H,136,156)(H,137,157)(H,138,158)(H,139,162)(H,140,163)(H,141,159)(H,142,160)(H,143,161)(H,144,164)(H,165,166)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m0/s1
InChIKey
YCPZSOFLNCKUSI-ASGAITCASA-N
Compound name
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2365.6577 Da
Monoisotopic Mass

-11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2366.6650 351.4
[M+Na]+ 2388.6469 329.8
[M-H]- 2364.6504 348.7
[M+NH4]+ 2383.6915 338.0
[M+K]+ 2404.6209 333.5
[M+H-H2O]+ 2348.6550 329.4
[M+HCOO]- 2410.6559 334.2
[M+CH3COO]- 2424.6716 332.3
[M+Na-2H]- 2386.6324 367.4
[M]+ 2365.6572 280.7
[M]- 2365.6582 280.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.