CID 16186097

K-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k-k-f-a-k

Structural Information

Molecular Formula
C120H192N30O21
SMILES
C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C120H192N30O21/c1-76(132-115(165)96(71-81-41-11-6-12-42-81)146-106(156)86(131)51-21-31-61-121)101(151)137-87(52-22-32-62-122)107(157)141-91(56-26-36-66-126)111(161)147-97(72-82-43-13-7-14-44-82)116(166)133-77(2)102(152)138-88(53-23-33-63-123)108(158)142-92(57-27-37-67-127)112(162)148-98(73-83-45-15-8-16-46-83)117(167)134-78(3)103(153)139-89(54-24-34-64-124)109(159)143-93(58-28-38-68-128)113(163)149-99(74-84-47-17-9-18-48-84)118(168)135-79(4)104(154)140-90(55-25-35-65-125)110(160)144-94(59-29-39-69-129)114(164)150-100(75-85-49-19-10-20-50-85)119(169)136-80(5)105(155)145-95(120(170)171)60-30-40-70-130/h6-20,41-50,76-80,86-100H,21-40,51-75,121-131H2,1-5H3,(H,132,165)(H,133,166)(H,134,167)(H,135,168)(H,136,169)(H,137,151)(H,138,152)(H,139,153)(H,140,154)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H,145,155)(H,146,156)(H,147,161)(H,148,162)(H,149,163)(H,150,164)(H,170,171)/t76-,77-,78-,79-,80-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
InChIKey
VTPKYSOKESGMOC-VUHDZKMRSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2389.4878 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2390.4951 339.8
[M+Na]+ 2412.4770 319.1
[M-H]- 2388.4805 341.3
[M+NH4]+ 2407.5216 328.3
[M+K]+ 2428.4510 323.0
[M+H-H2O]+ 2372.4851 311.9
[M+HCOO]- 2434.4860 324.8
[M+CH3COO]- 2448.5017 323.5
[M+Na-2H]- 2410.4625 370.5
[M]+ 2389.4873 279.9
[M]- 2389.4883 279.9
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.