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

literature stripe

Patent stripe

patents stripe