CID 16073139
Kkkklvaafyvlv
Structural Information
- Molecular Formula
- C75H127N17O15
- 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](CC(C)C)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](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/C75H127N17O15/c1-42(2)38-56(87-68(99)55(29-19-23-37-79)85-67(98)54(28-18-22-36-78)84-66(97)53(27-17-21-35-77)83-65(96)52(80)26-16-20-34-76)70(101)90-60(44(5)6)73(104)82-47(11)63(94)81-48(12)64(95)86-58(40-49-24-14-13-15-25-49)69(100)88-59(41-50-30-32-51(93)33-31-50)72(103)91-61(45(7)8)74(105)89-57(39-43(3)4)71(102)92-62(46(9)10)75(106)107/h13-15,24-25,30-33,42-48,52-62,93H,16-23,26-29,34-41,76-80H2,1-12H3,(H,81,94)(H,82,104)(H,83,96)(H,84,97)(H,85,98)(H,86,95)(H,87,99)(H,88,100)(H,89,105)(H,90,101)(H,91,103)(H,92,102)(H,106,107)/t47-,48-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
- InChIKey
- JQCCBMZYFBFZJF-VFSSDFCDSA-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]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1506.9770 | 396.0 |
[M+Na]+ | 1528.9589 | 379.7 |
[M-H]- | 1504.9624 | 404.9 |
[M+NH4]+ | 1524.0035 | 392.0 |
[M+K]+ | 1544.9329 | 380.7 |
[M+H-H2O]+ | 1488.9670 | 365.0 |
[M+HCOO]- | 1550.9679 | 388.4 |
[M+CH3COO]- | 1564.9836 | 387.0 |
[M+Na-2H]- | 1526.9444 | 442.0 |
[M]+ | 1505.9692 | 403.1 |
[M]- | 1505.9702 | 403.1 |
Literature stripe
Patent stripe
No patent data available for this compound.