CID 16073015
Kkkkvvlatlvlv
Structural Information
- Molecular Formula
- C69H131N17O15
- SMILES
- C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)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](CC(C)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)O
- InChI
- InChI=1S/C69H131N17O15/c1-36(2)33-49(62(93)75-43(15)57(88)86-56(44(16)87)68(99)81-50(34-37(3)4)63(94)83-52(39(7)8)65(96)80-51(35-38(5)6)64(95)85-55(42(13)14)69(100)101)79-66(97)53(40(9)10)84-67(98)54(41(11)12)82-61(92)48(28-20-24-32-73)78-60(91)47(27-19-23-31-72)77-59(90)46(26-18-22-30-71)76-58(89)45(74)25-17-21-29-70/h36-56,87H,17-35,70-74H2,1-16H3,(H,75,93)(H,76,89)(H,77,90)(H,78,91)(H,79,97)(H,80,96)(H,81,99)(H,82,92)(H,83,94)(H,84,98)(H,85,95)(H,86,88)(H,100,101)/t43-,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
- InChIKey
- ARYVTGINKHXCRJ-MUYPFPMGSA-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]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]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]+ | 1439.0084 | 397.0 |
[M+Na]+ | 1460.9903 | 378.3 |
[M-H]- | 1436.9938 | 405.0 |
[M+NH4]+ | 1456.0349 | 391.9 |
[M+K]+ | 1476.9643 | 379.5 |
[M+H-H2O]+ | 1420.9984 | 367.8 |
[M+HCOO]- | 1482.9993 | 388.4 |
[M+CH3COO]- | 1497.0150 | 386.9 |
[M+Na-2H]- | 1458.9758 | 440.2 |
[M]+ | 1438.0006 | 399.2 |
[M]- | 1438.0016 | 399.2 |
Literature stripe
Patent stripe
No patent data available for this compound.