CID 16073110
Kkkklllaflflf
Structural Information
- Molecular Formula
- C84H137N17O14
- 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](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)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/C84H137N17O14/c1-51(2)43-64(96-79(109)66(45-53(5)6)97-78(108)65(44-52(3)4)95-76(106)63(38-24-28-42-88)93-75(105)62(37-23-27-41-87)92-74(104)61(36-22-26-40-86)91-73(103)60(89)35-21-25-39-85)77(107)90-56(11)72(102)94-69(48-57-29-15-12-16-30-57)82(112)98-67(46-54(7)8)80(110)100-70(49-58-31-17-13-18-32-58)83(113)99-68(47-55(9)10)81(111)101-71(84(114)115)50-59-33-19-14-20-34-59/h12-20,29-34,51-56,60-71H,21-28,35-50,85-89H2,1-11H3,(H,90,107)(H,91,103)(H,92,104)(H,93,105)(H,94,102)(H,95,106)(H,96,109)(H,97,108)(H,98,112)(H,99,113)(H,100,110)(H,101,111)(H,114,115)/t56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
- InChIKey
- CAEPZMQKVWOAOF-LZSNUBKUSA-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]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1609.0604 | 403.2 |
[M+Na]+ | 1631.0423 | 388.5 |
[M-H]- | 1607.0458 | 412.7 |
[M+NH4]+ | 1626.0869 | 399.9 |
[M+K]+ | 1647.0163 | 388.3 |
[M+H-H2O]+ | 1591.0504 | 371.1 |
[M+HCOO]- | 1653.0513 | 396.2 |
[M+CH3COO]- | 1667.0670 | 394.6 |
[M+Na-2H]- | 1629.0278 | 450.2 |
[M]+ | 1608.0526 | 415.1 |
[M]- | 1608.0536 | 415.1 |
Literature stripe
Patent stripe
No patent data available for this compound.