CID 15954686

L-k-l-k-l-k-l-k-l-k-l-k-l-k-l-k

Structural Information

Molecular Formula
C96H186N24O17
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N
InChI
InChI=1S/C96H186N24O17/c1-57(2)49-65(105)81(121)106-66(33-17-25-41-97)82(122)114-74(50-58(3)4)89(129)107-67(34-18-26-42-98)83(123)115-75(51-59(5)6)90(130)108-68(35-19-27-43-99)84(124)116-76(52-60(7)8)91(131)109-69(36-20-28-44-100)85(125)117-77(53-61(9)10)92(132)110-70(37-21-29-45-101)86(126)118-78(54-62(11)12)93(133)111-71(38-22-30-46-102)87(127)119-79(55-63(13)14)94(134)112-72(39-23-31-47-103)88(128)120-80(56-64(15)16)95(135)113-73(96(136)137)40-24-32-48-104/h57-80H,17-56,97-105H2,1-16H3,(H,106,121)(H,107,129)(H,108,130)(H,109,131)(H,110,132)(H,111,133)(H,112,134)(H,113,135)(H,114,122)(H,115,123)(H,116,124)(H,117,125)(H,118,126)(H,119,127)(H,120,128)(H,136,137)/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
InChIKey
WALQXNRKQHCJPK-DZJDRNJKSA-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-amino-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1947.4427 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1948.4500 427.0
[M+Na]+ 1970.4319 403.6
[M-H]- 1946.4354 430.2
[M+NH4]+ 1965.4765 416.0
[M+K]+ 1986.4059 406.2
[M+H-H2O]+ 1930.4400 396.8
[M+HCOO]- 1992.4409 411.2
[M+CH3COO]- 2006.4566 408.3
[M+Na-2H]- 1968.4174 458.8
[M]+ 1947.4422 386.5
[M]- 1947.4432 386.5
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.