CID 16197744

Akkaakkakkaakkakkwakk

Structural Information

Molecular Formula
C107H196N34O22
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](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](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](CC1=CNC2=CC=CC=C21)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/C107H196N34O22/c1-63(120)87(142)129-78(41-15-27-53-112)99(154)135-74(37-11-23-49-108)95(150)124-64(2)88(143)122-66(4)90(145)130-79(42-16-28-54-113)100(155)137-76(39-13-25-51-110)97(152)126-68(6)92(147)132-81(44-18-30-56-115)102(157)136-75(38-12-24-50-109)96(151)125-65(3)89(144)123-67(5)91(146)131-80(43-17-29-55-114)101(156)138-77(40-14-26-52-111)98(153)127-69(7)93(148)133-82(45-19-31-57-116)103(158)139-84(47-21-33-59-118)105(160)141-86(61-71-62-121-73-36-10-9-35-72(71)73)106(161)128-70(8)94(149)134-83(46-20-32-58-117)104(159)140-85(107(162)163)48-22-34-60-119/h9-10,35-36,62-70,74-86,121H,11-34,37-61,108-120H2,1-8H3,(H,122,143)(H,123,144)(H,124,150)(H,125,151)(H,126,152)(H,127,153)(H,128,161)(H,129,142)(H,130,145)(H,131,146)(H,132,147)(H,133,148)(H,134,149)(H,135,154)(H,136,157)(H,137,155)(H,138,156)(H,139,158)(H,140,159)(H,141,160)(H,162,163)/t63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1
InChIKey
WHWABYMCFAPCAO-CTQBXKFFSA-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]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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2309.5264 Da
Monoisotopic Mass

-9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2310.5337 377.4
[M+Na]+ 2332.5156 354.5
[M-H]- 2308.5191 375.5
[M+NH4]+ 2327.5602 363.6
[M+K]+ 2348.4896 358.7
[M+H-H2O]+ 2292.5237 351.7
[M+HCOO]- 2354.5246 359.0
[M+CH3COO]- 2368.5403 356.6
[M+Na-2H]- 2330.5011 395.6
[M]+ 2309.5259 308.0
[M]- 2309.5269 308.0
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.