CID 16073028
Kkkkvvaafyvfv
Structural Information
- Molecular Formula
- C77H123N17O15
- SMILES
- C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(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/C77H123N17O15/c1-44(2)61(93-76(107)63(46(5)6)91-70(101)57(32-20-24-40-81)87-69(100)56(31-19-23-39-80)86-68(99)55(30-18-22-38-79)85-67(98)54(82)29-17-21-37-78)74(105)84-48(9)65(96)83-49(10)66(97)88-58(41-50-25-13-11-14-26-50)71(102)89-59(43-52-33-35-53(95)36-34-52)72(103)92-62(45(3)4)75(106)90-60(42-51-27-15-12-16-28-51)73(104)94-64(47(7)8)77(108)109/h11-16,25-28,33-36,44-49,54-64,95H,17-24,29-32,37-43,78-82H2,1-10H3,(H,83,96)(H,84,105)(H,85,98)(H,86,99)(H,87,100)(H,88,97)(H,89,102)(H,90,106)(H,91,101)(H,92,103)(H,93,107)(H,94,104)(H,108,109)/t48-,49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
- InChIKey
- UWBVZCTYZZAQBM-IPQLKSHKSA-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]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1526.9458 | 391.8 |
[M+Na]+ | 1548.9277 | 376.9 |
[M-H]- | 1524.9312 | 401.2 |
[M+NH4]+ | 1543.9723 | 388.5 |
[M+K]+ | 1564.9017 | 377.8 |
[M+H-H2O]+ | 1508.9358 | 360.1 |
[M+HCOO]- | 1570.9367 | 385.0 |
[M+CH3COO]- | 1584.9524 | 383.7 |
[M+Na-2H]- | 1546.9132 | 438.7 |
[M]+ | 1525.9380 | 401.8 |
[M]- | 1525.9390 | 401.8 |
Literature stripe
Patent stripe
No patent data available for this compound.