CID 16186484
Kkkkllaaflfff
Structural Information
- Molecular Formula
- C84H129N17O14
- SMILES
- C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C84H129N17O14/c1-52(2)45-65(97-79(109)66(46-53(3)4)96-77(107)64(40-24-28-44-88)94-76(106)63(39-23-27-43-87)93-75(105)62(38-22-26-42-86)92-74(104)61(89)37-21-25-41-85)78(108)91-55(7)72(102)90-56(8)73(103)95-68(48-57-29-13-9-14-30-57)81(111)98-67(47-54(5)6)80(110)99-69(49-58-31-15-10-16-32-58)82(112)100-70(50-59-33-17-11-18-34-59)83(113)101-71(84(114)115)51-60-35-19-12-20-36-60/h9-20,29-36,52-56,61-71H,21-28,37-51,85-89H2,1-8H3,(H,90,102)(H,91,108)(H,92,104)(H,93,105)(H,94,106)(H,95,103)(H,96,107)(H,97,109)(H,98,111)(H,99,110)(H,100,112)(H,101,113)(H,114,115)/t55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
- InChIKey
- UDUPBVZPSDDCAP-HJESLLSGSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1600.9978 | 390.6 |
[M+Na]+ | 1622.9797 | 377.7 |
[M-H]- | 1598.9832 | 400.3 |
[M+NH4]+ | 1618.0243 | 388.2 |
[M+K]+ | 1638.9537 | 377.8 |
[M+H-H2O]+ | 1582.9878 | 358.4 |
[M+HCOO]- | 1644.9887 | 384.8 |
[M+CH3COO]- | 1659.0044 | 383.5 |
[M+Na-2H]- | 1620.9652 | 438.7 |
[M]+ | 1599.9900 | 406.2 |
[M]- | 1599.9910 | 406.2 |
Literature stripe
Patent stripe
No patent data available for this compound.