CID 71597665
Mkkllkkllkkllm
Structural Information
- Molecular Formula
- C82H158N20O15S2
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)N
- InChI
- InChI=1S/C82H158N20O15S2/c1-49(2)43-63(100-79(113)66(46-52(7)8)97-73(107)59(30-18-24-38-86)91-70(104)56(27-15-21-35-83)90-69(103)55(89)33-41-118-13)76(110)94-57(28-16-22-36-84)71(105)92-60(31-19-25-39-87)74(108)98-67(47-53(9)10)80(114)101-64(44-50(3)4)77(111)95-58(29-17-23-37-85)72(106)93-61(32-20-26-40-88)75(109)99-68(48-54(11)12)81(115)102-65(45-51(5)6)78(112)96-62(82(116)117)34-42-119-14/h49-68H,15-48,83-89H2,1-14H3,(H,90,103)(H,91,104)(H,92,105)(H,93,106)(H,94,110)(H,95,111)(H,96,112)(H,97,107)(H,98,108)(H,99,109)(H,100,113)(H,101,114)(H,102,115)(H,116,117)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1
- InChIKey
- SBGBLQQLXMFBDA-VGTZBDPTSA-N
- Compound name
- (2S)-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-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1728.1729 | 421.5 |
[M+Na]+ | 1750.1548 | 404.5 |
[M-H]- | 1726.1583 | 428.4 |
[M+NH4]+ | 1745.1994 | 416.0 |
[M+K]+ | 1766.1288 | 405.3 |
[M+H-H2O]+ | 1710.1629 | 394.1 |
[M+HCOO]- | 1772.1638 | 411.6 |
[M+CH3COO]- | 1786.1795 | 409.3 |
[M+Na-2H]- | 1748.1403 | 462.4 |
[M]+ | 1727.1651 | 417.9 |
[M]- | 1727.1661 | 417.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.