CID 16186119

F-k-a-f-k-a-f-k-a-f-k-a-f-k-a-f-k-a

Structural Information

Molecular Formula
C108H158N24O19
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=CC=C6)N
InChI
InChI=1S/C108H158N24O19/c1-67(116-97(139)80(49-25-31-55-109)122-96(138)79(115)61-73-37-13-7-14-38-73)91(133)128-86(62-74-39-15-8-16-40-74)103(145)123-81(50-26-32-56-110)98(140)117-68(2)92(134)129-87(63-75-41-17-9-18-42-75)104(146)124-82(51-27-33-57-111)99(141)118-69(3)93(135)130-88(64-76-43-19-10-20-44-76)105(147)125-83(52-28-34-58-112)100(142)119-70(4)94(136)131-89(65-77-45-21-11-22-46-77)106(148)126-84(53-29-35-59-113)101(143)120-71(5)95(137)132-90(66-78-47-23-12-24-48-78)107(149)127-85(54-30-36-60-114)102(144)121-72(6)108(150)151/h7-24,37-48,67-72,79-90H,25-36,49-66,109-115H2,1-6H3,(H,116,139)(H,117,140)(H,118,141)(H,119,142)(H,120,143)(H,121,144)(H,122,138)(H,123,145)(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,133)(H,129,134)(H,130,135)(H,131,136)(H,132,137)(H,150,151)/t67-,68-,69-,70-,71-,72-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1
InChIKey
PYKOGTAPAWZBOE-XEUODTJUSA-N
Compound name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2095.2136 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2096.2209 368.1
[M+Na]+ 2118.2028 350.2
[M-H]- 2094.2063 374.3
[M+NH4]+ 2113.2474 360.3
[M+K]+ 2134.1768 353.0
[M+H-H2O]+ 2078.2109 336.2
[M+HCOO]- 2140.2118 356.6
[M+CH3COO]- 2154.2275 355.0
[M+Na-2H]- 2116.1883 408.4
[M]+ 2095.2131 337.5
[M]- 2095.2141 337.5
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.