CID 16073145
Kkkkvlaatlvlv
Structural Information
- Molecular Formula
- C67H127N17O15
- 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](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)O
- InChI
- InChI=1S/C67H127N17O15/c1-35(2)32-48(78-64(95)51(38(7)8)81-60(91)47(27-19-23-31-71)77-59(90)46(26-18-22-30-70)76-58(89)45(25-17-21-29-69)75-57(88)44(72)24-16-20-28-68)61(92)74-41(13)55(86)73-42(14)56(87)84-54(43(15)85)66(97)80-49(33-36(3)4)62(93)82-52(39(9)10)65(96)79-50(34-37(5)6)63(94)83-53(40(11)12)67(98)99/h35-54,85H,16-34,68-72H2,1-15H3,(H,73,86)(H,74,92)(H,75,88)(H,76,89)(H,77,90)(H,78,95)(H,79,96)(H,80,97)(H,81,91)(H,82,93)(H,83,94)(H,84,87)(H,98,99)/t41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1
- InChIKey
- WIKMZZGCSMYBHH-RRMBIVCCSA-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]-4-methylpentanoyl]amino]propanoyl]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]+ | 1410.9770 | 389.3 |
[M+Na]+ | 1432.9589 | 370.8 |
[M-H]- | 1408.9624 | 397.1 |
[M+NH4]+ | 1428.0035 | 384.3 |
[M+K]+ | 1448.9329 | 372.5 |
[M+H-H2O]+ | 1392.9670 | 360.4 |
[M+HCOO]- | 1454.9679 | 381.0 |
[M+CH3COO]- | 1468.9836 | 379.8 |
[M+Na-2H]- | 1430.9444 | 433.2 |
[M]+ | 1409.9692 | 392.3 |
[M]- | 1409.9702 | 392.3 |
Literature stripe
Patent stripe
No patent data available for this compound.