CID 16154752

Akkakkkakkaakkakkkakk

Structural Information

Molecular Formula
C105H205N35O22
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](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)O)N
InChI
InChI=1S/C105H205N35O22/c1-64(120)85(141)127-76(41-13-27-55-111)97(153)133-72(37-9-23-51-107)93(149)123-68(5)89(145)130-79(44-16-30-58-114)100(156)138-82(47-19-33-61-117)102(158)136-74(39-11-25-53-109)95(151)125-67(4)88(144)129-78(43-15-29-57-113)99(155)134-71(36-8-22-50-106)92(148)122-65(2)86(142)121-66(3)87(143)128-77(42-14-28-56-112)98(154)135-73(38-10-24-52-108)94(150)124-69(6)90(146)131-80(45-17-31-59-115)101(157)139-83(48-20-34-62-118)103(159)137-75(40-12-26-54-110)96(152)126-70(7)91(147)132-81(46-18-32-60-116)104(160)140-84(105(161)162)49-21-35-63-119/h64-84H,8-63,106-120H2,1-7H3,(H,121,142)(H,122,148)(H,123,149)(H,124,150)(H,125,151)(H,126,152)(H,127,141)(H,128,143)(H,129,144)(H,130,145)(H,131,146)(H,132,147)(H,133,153)(H,134,155)(H,135,154)(H,136,158)(H,137,159)(H,138,156)(H,139,157)(H,140,160)(H,161,162)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m0/s1
InChIKey
HPKISKBPUBYTJJ-AQYZEOLHSA-N
Compound name
(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)-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]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2308.5999 Da
Monoisotopic Mass

-11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2309.6072 359.3
[M+Na]+ 2331.5891 337.0
[M-H]- 2307.5926 356.8
[M+NH4]+ 2326.6337 345.6
[M+K]+ 2347.5631 340.8
[M+H-H2O]+ 2291.5972 336.1
[M+HCOO]- 2353.5981 341.6
[M+CH3COO]- 2367.6138 339.7
[M+Na-2H]- 2329.5746 376.2
[M]+ 2308.5994 288.4
[M]- 2308.6004 288.4
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.