CID 16073102
Kkkklllatlfff
Structural Information
- Molecular Formula
- C82H133N17O15
- SMILES
- C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)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](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O
- InChI
- InChI=1S/C82H133N17O15/c1-49(2)42-62(93-77(108)64(44-51(5)6)94-76(107)63(43-50(3)4)92-74(105)61(37-23-27-41-86)91-73(104)60(36-22-26-40-85)90-72(103)59(35-21-25-39-84)89-71(102)58(87)34-20-24-38-83)75(106)88-53(9)70(101)99-69(54(10)100)81(112)97-65(45-52(7)8)78(109)95-66(46-55-28-14-11-15-29-55)79(110)96-67(47-56-30-16-12-17-31-56)80(111)98-68(82(113)114)48-57-32-18-13-19-33-57/h11-19,28-33,49-54,58-69,100H,20-27,34-48,83-87H2,1-10H3,(H,88,106)(H,89,102)(H,90,103)(H,91,104)(H,92,105)(H,93,108)(H,94,107)(H,95,109)(H,96,110)(H,97,112)(H,98,111)(H,99,101)(H,113,114)/t53-,54+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
- InChIKey
- UPOJOMQNHSWYRO-RKRXTALMSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-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-hydroxybutanoyl]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]+ | 1597.0240 | 399.0 |
[M+Na]+ | 1619.0059 | 383.6 |
[M-H]- | 1595.0094 | 408.3 |
[M+NH4]+ | 1614.0505 | 395.3 |
[M+K]+ | 1634.9799 | 384.1 |
[M+H-H2O]+ | 1579.0140 | 366.7 |
[M+HCOO]- | 1641.0149 | 391.6 |
[M+CH3COO]- | 1655.0306 | 390.1 |
[M+Na-2H]- | 1616.9914 | 445.4 |
[M]+ | 1596.0162 | 407.3 |
[M]- | 1596.0172 | 407.3 |
Literature stripe
Patent stripe
No patent data available for this compound.