CID 145866990

26124-78-7

Structural Information

Molecular Formula
C124H251N41O20
SMILES
CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C124H251N41O20/c1-2-3-84-146-106(167)86(45-5-25-65-126)148-108(169)88(47-7-27-67-128)150-110(171)90(49-9-29-69-130)152-112(173)92(51-11-31-71-132)154-114(175)94(53-13-33-73-134)156-116(177)96(55-15-35-75-136)158-118(179)98(57-17-37-77-138)160-120(181)100(59-19-39-79-140)162-122(183)102(61-21-41-81-142)164-124(185)104(63-23-43-83-144)165-123(184)103(62-22-42-82-143)163-121(182)101(60-20-40-80-141)161-119(180)99(58-18-38-78-139)159-117(178)97(56-16-36-76-137)157-115(176)95(54-14-34-74-135)155-113(174)93(52-12-32-72-133)153-111(172)91(50-10-30-70-131)151-109(170)89(48-8-28-68-129)149-107(168)87(46-6-26-66-127)147-105(166)85(145)44-4-24-64-125/h85-104H,2-84,125-145H2,1H3,(H,146,167)(H,147,166)(H,148,169)(H,149,168)(H,150,171)(H,151,170)(H,152,173)(H,153,172)(H,154,175)(H,155,174)(H,156,177)(H,157,176)(H,158,179)(H,159,178)(H,160,181)(H,161,180)(H,162,183)(H,163,182)(H,164,185)(H,165,184)/t85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-/m0/s1
InChIKey
KLWINKONIYREHU-QZOUKWNASA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-(butylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2634.9885 Da
Monoisotopic Mass

-9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2635.9958 301.4
[M+Na]+ 2657.9777 284.2
[M-H]- 2633.9812 298.3
[M+NH4]+ 2653.0223 290.2
[M+K]+ 2673.9517 287.5
[M+H-H2O]+ 2617.9858 285.3
[M+HCOO]- 2679.9867 287.6
[M+CH3COO]- 2694.0024 286.8
[M+Na-2H]- 2655.9632 316.1
[M]+ 2634.9880 238.4
[M]- 2634.9890 238.4
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.