CID 15954692

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

Structural Information

Molecular Formula
C84H163N21O15
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)O)N
InChI
InChI=1S/C84H163N21O15/c1-50(2)43-57(92)71(106)93-58(29-15-22-36-85)72(107)100-65(44-51(3)4)78(113)94-59(30-16-23-37-86)73(108)101-66(45-52(5)6)79(114)95-60(31-17-24-38-87)74(109)102-67(46-53(7)8)80(115)96-61(32-18-25-39-88)75(110)103-68(47-54(9)10)81(116)97-62(33-19-26-40-89)76(111)104-69(48-55(11)12)82(117)98-63(34-20-27-41-90)77(112)105-70(49-56(13)14)83(118)99-64(84(119)120)35-21-28-42-91/h50-70H,15-49,85-92H2,1-14H3,(H,93,106)(H,94,113)(H,95,114)(H,96,115)(H,97,116)(H,98,117)(H,99,118)(H,100,107)(H,101,108)(H,102,109)(H,103,110)(H,104,111)(H,105,112)(H,119,120)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
InChIKey
KEENJTPOANMMPN-ZNTUHGOWSA-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-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

1706.2638 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1707.2711 405.5
[M+Na]+ 1729.2530 384.6
[M-H]- 1705.2565 410.7
[M+NH4]+ 1724.2976 397.6
[M+K]+ 1745.2270 387.5
[M+H-H2O]+ 1689.2611 375.9
[M+HCOO]- 1751.2620 393.5
[M+CH3COO]- 1765.2777 391.5
[M+Na-2H]- 1727.2385 445.9
[M]+ 1706.2633 387.1
[M]- 1706.2643 387.1
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.