CID 16186096
K-f-k-k-f-a-k-k-f-a-k-k-f-a-k
Structural Information
- Molecular Formula
- C96H154N24O17
- 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)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C96H154N24O17/c1-61(106-92(132)77(57-65-33-9-5-10-34-65)117-85(125)69(105)41-17-25-49-97)81(121)110-70(42-18-26-50-98)86(126)113-73(45-21-29-53-101)89(129)118-78(58-66-35-11-6-12-36-66)93(133)107-62(2)82(122)111-71(43-19-27-51-99)87(127)114-74(46-22-30-54-102)90(130)119-79(59-67-37-13-7-14-38-67)94(134)108-63(3)83(123)112-72(44-20-28-52-100)88(128)115-75(47-23-31-55-103)91(131)120-80(60-68-39-15-8-16-40-68)95(135)109-64(4)84(124)116-76(96(136)137)48-24-32-56-104/h5-16,33-40,61-64,69-80H,17-32,41-60,97-105H2,1-4H3,(H,106,132)(H,107,133)(H,108,134)(H,109,135)(H,110,121)(H,111,122)(H,112,123)(H,113,126)(H,114,127)(H,115,128)(H,116,124)(H,117,125)(H,118,129)(H,119,130)(H,120,131)(H,136,137)/t61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
- InChIKey
- OBTKERYOWSQUDI-TWORHNKZSA-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)-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]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1916.1997 | 356.6 |
[M+Na]+ | 1938.1816 | 337.8 |
[M-H]- | 1914.1851 | 361.6 |
[M+NH4]+ | 1933.2262 | 348.8 |
[M+K]+ | 1954.1556 | 342.6 |
[M+H-H2O]+ | 1898.1897 | 325.7 |
[M+HCOO]- | 1960.1906 | 345.4 |
[M+CH3COO]- | 1974.2063 | 344.3 |
[M+Na-2H]- | 1936.1671 | 400.4 |
[M]+ | 1915.1919 | 329.6 |
[M]- | 1915.1929 | 329.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.