CID 15954692
L-k-l-k-l-k-l-k-l-k-l-k-l-k
Structural Information
- Molecular Formula
- C84H163N21O15
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N
- InChI
- InChI=1S/C84H163N21O15/c1-50(2)43-57(92)71(106)93-58(29-15-22-36-85)72(107)100-65(44-51(3)4)78(113)94-59(30-16-23-37-86)73(108)101-66(45-52(5)6)79(114)95-60(31-17-24-38-87)74(109)102-67(46-53(7)8)80(115)96-61(32-18-25-39-88)75(110)103-68(47-54(9)10)81(116)97-62(33-19-26-40-89)76(111)104-69(48-55(11)12)82(117)98-63(34-20-27-41-90)77(112)105-70(49-56(13)14)83(118)99-64(84(119)120)35-21-28-42-91/h50-70H,15-49,85-92H2,1-14H3,(H,93,106)(H,94,113)(H,95,114)(H,96,115)(H,97,116)(H,98,117)(H,99,118)(H,100,107)(H,101,108)(H,102,109)(H,103,110)(H,104,111)(H,105,112)(H,119,120)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
- InChIKey
- KEENJTPOANMMPN-ZNTUHGOWSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1707.2711 | 405.5 |
[M+Na]+ | 1729.2530 | 384.6 |
[M-H]- | 1705.2565 | 410.7 |
[M+NH4]+ | 1724.2976 | 397.6 |
[M+K]+ | 1745.2270 | 387.5 |
[M+H-H2O]+ | 1689.2611 | 375.9 |
[M+HCOO]- | 1751.2620 | 393.5 |
[M+CH3COO]- | 1765.2777 | 391.5 |
[M+Na-2H]- | 1727.2385 | 445.9 |
[M]+ | 1706.2633 | 387.1 |
[M]- | 1706.2643 | 387.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.