CID 16152201

Akkaakkakkaakkakkaakk

Structural Information

Molecular Formula
C99H191N33O22
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](C)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/C99H191N33O22/c1-58(112)79(133)121-72(39-15-27-51-105)93(147)127-67(34-10-22-46-100)88(142)116-59(2)80(134)113-62(5)83(137)122-73(40-16-28-52-106)94(148)130-70(37-13-25-49-103)91(145)119-65(8)86(140)124-75(42-18-30-54-108)96(150)128-68(35-11-23-47-101)89(143)117-60(3)81(135)114-63(6)84(138)123-74(41-17-29-53-107)95(149)131-71(38-14-26-50-104)92(146)120-66(9)87(141)125-76(43-19-31-55-109)97(151)129-69(36-12-24-48-102)90(144)118-61(4)82(136)115-64(7)85(139)126-77(44-20-32-56-110)98(152)132-78(99(153)154)45-21-33-57-111/h58-78H,10-57,100-112H2,1-9H3,(H,113,134)(H,114,135)(H,115,136)(H,116,142)(H,117,143)(H,118,144)(H,119,145)(H,120,146)(H,121,133)(H,122,137)(H,123,138)(H,124,140)(H,125,141)(H,126,139)(H,127,147)(H,128,150)(H,129,151)(H,130,148)(H,131,149)(H,132,152)(H,153,154)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m0/s1
InChIKey
RXEHHYAXUWBZET-IVRAXKHXSA-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]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2194.4841 Da
Monoisotopic Mass

-10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2195.4914 375.2
[M+Na]+ 2217.4733 351.6
[M-H]- 2193.4768 373.4
[M+NH4]+ 2212.5179 361.3
[M+K]+ 2233.4473 355.6
[M+H-H2O]+ 2177.4814 350.0
[M+HCOO]- 2239.4823 357.0
[M+CH3COO]- 2253.4980 354.7
[M+Na-2H]- 2215.4588 394.1
[M]+ 2194.4836 305.2
[M]- 2194.4846 305.2
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.