CID 16197742

Kakakakakakakakakakak

Structural Information

Molecular Formula
C96H184N32O22
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C96H184N32O22/c1-55(109-86(139)65(108)33-11-22-44-97)76(129)119-66(34-12-23-45-98)87(140)110-56(2)77(130)120-67(35-13-24-46-99)88(141)111-57(3)78(131)121-68(36-14-25-47-100)89(142)112-58(4)79(132)122-69(37-15-26-48-101)90(143)113-59(5)80(133)123-70(38-16-27-49-102)91(144)114-60(6)81(134)124-71(39-17-28-50-103)92(145)115-61(7)82(135)125-72(40-18-29-51-104)93(146)116-62(8)83(136)126-73(41-19-30-52-105)94(147)117-63(9)84(137)127-74(42-20-31-53-106)95(148)118-64(10)85(138)128-75(96(149)150)43-21-32-54-107/h55-75H,11-54,97-108H2,1-10H3,(H,109,139)(H,110,140)(H,111,141)(H,112,142)(H,113,143)(H,114,144)(H,115,145)(H,116,146)(H,117,147)(H,118,148)(H,119,129)(H,120,130)(H,121,131)(H,122,132)(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H,127,137)(H,128,138)(H,149,150)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
InChIKey
ZPKKNDAUTBBXEF-XADXARLJSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

2137.4263 Da
Monoisotopic Mass

-10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2138.4336 383.1
[M+Na]+ 2160.4155 358.9
[M-H]- 2136.4190 381.7
[M+NH4]+ 2155.4601 369.1
[M+K]+ 2176.3895 363.0
[M+H-H2O]+ 2120.4236 356.9
[M+HCOO]- 2182.4245 364.7
[M+CH3COO]- 2196.4402 362.3
[M+Na-2H]- 2158.4010 403.0
[M]+ 2137.4258 314.1
[M]- 2137.4268 314.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.