CID 16073017
Kkkkvllpflffv
Structural Information
- Molecular Formula
- C84H135N17O14
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(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/C84H135N17O14/c1-51(2)45-63(76(106)94-65(48-56-29-14-11-15-30-56)78(108)95-67(50-58-33-18-13-19-34-58)80(110)100-71(55(9)10)84(114)115)93-79(109)66(49-57-31-16-12-17-32-57)96-81(111)69-39-28-44-101(69)83(113)68(47-53(5)6)98-77(107)64(46-52(3)4)97-82(112)70(54(7)8)99-75(105)62(38-23-27-43-88)92-74(104)61(37-22-26-42-87)91-73(103)60(36-21-25-41-86)90-72(102)59(89)35-20-24-40-85/h11-19,29-34,51-55,59-71H,20-28,35-50,85-89H2,1-10H3,(H,90,102)(H,91,103)(H,92,104)(H,93,109)(H,94,106)(H,95,108)(H,96,111)(H,97,112)(H,98,107)(H,99,105)(H,100,110)(H,114,115)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
- InChIKey
- HEZPHVHCCGWVNG-ZIUWDTJJSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(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]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]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]+ | 1607.0448 | 404.1 |
[M+Na]+ | 1629.0267 | 390.5 |
[M-H]- | 1605.0302 | 413.6 |
[M+NH4]+ | 1624.0713 | 401.4 |
[M+K]+ | 1645.0007 | 391.7 |
[M+H-H2O]+ | 1589.0348 | 371.3 |
[M+HCOO]- | 1651.0357 | 397.6 |
[M+CH3COO]- | 1665.0514 | 395.9 |
[M+Na-2H]- | 1627.0122 | 448.9 |
[M]+ | 1606.0370 | 420.4 |
[M]- | 1606.0380 | 420.4 |
Literature stripe
Patent stripe
No patent data available for this compound.