CID 15954688

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

Structural Information

Molecular Formula
C120H232N30O21
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)O)N
InChI
InChI=1S/C120H232N30O21/c1-71(2)61-81(131)101(151)132-82(41-21-31-51-121)102(152)142-92(62-72(3)4)111(161)133-83(42-22-32-52-122)103(153)143-93(63-73(5)6)112(162)134-84(43-23-33-53-123)104(154)144-94(64-74(7)8)113(163)135-85(44-24-34-54-124)105(155)145-95(65-75(9)10)114(164)136-86(45-25-35-55-125)106(156)146-96(66-76(11)12)115(165)137-87(46-26-36-56-126)107(157)147-97(67-77(13)14)116(166)138-88(47-27-37-57-127)108(158)148-98(68-78(15)16)117(167)139-89(48-28-38-58-128)109(159)149-99(69-79(17)18)118(168)140-90(49-29-39-59-129)110(160)150-100(70-80(19)20)119(169)141-91(120(170)171)50-30-40-60-130/h71-100H,21-70,121-131H2,1-20H3,(H,132,151)(H,133,161)(H,134,162)(H,135,163)(H,136,164)(H,137,165)(H,138,166)(H,139,167)(H,140,168)(H,141,169)(H,142,152)(H,143,153)(H,144,154)(H,145,155)(H,146,156)(H,147,157)(H,148,158)(H,149,159)(H,150,160)(H,170,171)/t81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
InChIKey
DEWXQHSUHXOKJC-QYNGCTMMSA-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-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

2429.8008 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2430.8081 464.2
[M+Na]+ 2452.7900 439.6
[M-H]- 2428.7935 462.7
[M+NH4]+ 2447.8346 449.2
[M+K]+ 2468.7640 440.4
[M+H-H2O]+ 2412.7981 435.7
[M+HCOO]- 2474.7990 443.0
[M+CH3COO]- 2488.8147 438.7
[M+Na-2H]- 2450.7755 475.0
[M]+ 2429.8003 393.3
[M]- 2429.8013 393.3
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.