CID 16186124

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

Structural Information

Molecular Formula
C132H255N33O23
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)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/C132H255N33O23/c1-78(2)67-89(144)111(166)145-90(45-23-34-56-133)112(167)156-101(68-79(3)4)122(177)146-91(46-24-35-57-134)113(168)157-102(69-80(5)6)123(178)147-92(47-25-36-58-135)114(169)158-103(70-81(7)8)124(179)148-93(48-26-37-59-136)115(170)159-104(71-82(9)10)125(180)149-94(49-27-38-60-137)116(171)160-105(72-83(11)12)126(181)150-95(50-28-39-61-138)117(172)161-106(73-84(13)14)127(182)151-96(51-29-40-62-139)118(173)162-107(74-85(15)16)128(183)152-97(52-30-41-63-140)119(174)163-108(75-86(17)18)129(184)153-98(53-31-42-64-141)120(175)164-109(76-87(19)20)130(185)154-99(54-32-43-65-142)121(176)165-110(77-88(21)22)131(186)155-100(132(187)188)55-33-44-66-143/h78-110H,23-77,133-144H2,1-22H3,(H,145,166)(H,146,177)(H,147,178)(H,148,179)(H,149,180)(H,150,181)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,186)(H,156,167)(H,157,168)(H,158,169)(H,159,170)(H,160,171)(H,161,172)(H,162,173)(H,163,174)(H,164,175)(H,165,176)(H,187,188)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
InChIKey
KDFWBMZUHFMHIS-MBBDGIDYSA-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)-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]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

2670.98 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2671.9873 476.6
[M+Na]+ 2693.9692 453.4
[M-H]- 2669.9727 473.2
[M+NH4]+ 2689.0138 461.0
[M+K]+ 2709.9432 452.9
[M+H-H2O]+ 2653.9773 450.5
[M+HCOO]- 2715.9782 454.4
[M+CH3COO]- 2729.9939 449.6
[M+Na-2H]- 2691.9547 477.7
[M]+ 2670.9795 400.6
[M]- 2670.9805 400.6
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.