CID 16073133
Kkkklllaflffv
Structural Information
- Molecular Formula
- C83H135N17O14
- 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](C(C)C)C(=O)O)NC(=O)[C@H](CC(C)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/C83H135N17O14/c1-50(2)43-63(95-78(108)65(45-52(5)6)96-77(107)64(44-51(3)4)94-75(105)62(38-24-28-42-87)92-74(104)61(37-23-27-41-86)91-73(103)60(36-22-26-40-85)90-72(102)59(88)35-21-25-39-84)76(106)89-55(11)71(101)93-67(47-56-29-15-12-16-30-56)80(110)97-66(46-53(7)8)79(109)98-68(48-57-31-17-13-18-32-57)81(111)99-69(49-58-33-19-14-20-34-58)82(112)100-70(54(9)10)83(113)114/h12-20,29-34,50-55,59-70H,21-28,35-49,84-88H2,1-11H3,(H,89,106)(H,90,102)(H,91,103)(H,92,104)(H,93,101)(H,94,105)(H,95,108)(H,96,107)(H,97,110)(H,98,109)(H,99,111)(H,100,112)(H,113,114)/t55-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1
- InChIKey
- VGYBFBZQDKWJER-WQLHZWRGSA-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]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1595.0448 | 401.8 |
[M+Na]+ | 1617.0267 | 387.2 |
[M-H]- | 1593.0302 | 411.4 |
[M+NH4]+ | 1612.0713 | 398.6 |
[M+K]+ | 1633.0007 | 387.1 |
[M+H-H2O]+ | 1577.0348 | 369.8 |
[M+HCOO]- | 1639.0357 | 394.9 |
[M+CH3COO]- | 1653.0514 | 393.3 |
[M+Na-2H]- | 1615.0122 | 448.8 |
[M]+ | 1594.0370 | 414.0 |
[M]- | 1594.0380 | 414.0 |
Literature stripe
Patent stripe
No patent data available for this compound.