CID 15954691
K-f-a-k-k-f-a-k-k-f-a-k
Structural Information
- Molecular Formula
- C72H116N18O13
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C72H116N18O13/c1-46(80-69(99)58(43-49-25-7-4-8-26-49)88-64(94)52(79)31-13-19-37-73)61(91)83-53(32-14-20-38-74)65(95)85-55(34-16-22-40-76)67(97)89-59(44-50-27-9-5-10-28-50)70(100)81-47(2)62(92)84-54(33-15-21-39-75)66(96)86-56(35-17-23-41-77)68(98)90-60(45-51-29-11-6-12-30-51)71(101)82-48(3)63(93)87-57(72(102)103)36-18-24-42-78/h4-12,25-30,46-48,52-60H,13-24,31-45,73-79H2,1-3H3,(H,80,99)(H,81,100)(H,82,101)(H,83,91)(H,84,92)(H,85,95)(H,86,96)(H,87,93)(H,88,94)(H,89,97)(H,90,98)(H,102,103)/t46-,47-,48-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
- InChIKey
- VEKFMEQJKBXZTK-LRPHSNPLSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1441.9043 | 353.3 |
[M+Na]+ | 1463.8862 | 340.5 |
[M-H]- | 1439.8897 | 360.0 |
[M+NH4]+ | 1458.9308 | 350.8 |
[M+K]+ | 1479.8602 | 344.3 |
[M+H-H2O]+ | 1423.8943 | 323.8 |
[M+HCOO]- | 1485.8952 | 348.2 |
[M+CH3COO]- | 1499.9109 | 347.8 |
[M+Na-2H]- | 1461.8717 | 403.1 |
[M]+ | 1440.8965 | 367.4 |
[M]- | 1440.8975 | 367.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.