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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.