CID 71598155
Ckkllkkllkkll
Structural Information
- Molecular Formula
- C75H145N19O14S
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)N
- InChI
- InChI=1S/C75H145N19O14S/c1-44(2)37-57(92-72(104)59(39-46(5)6)89-67(99)54(28-16-22-34-79)84-64(96)51(25-13-19-31-76)83-63(95)50(82)43-109)70(102)87-52(26-14-20-32-77)65(97)85-55(29-17-23-35-80)68(100)90-60(40-47(7)8)73(105)93-58(38-45(3)4)71(103)88-53(27-15-21-33-78)66(98)86-56(30-18-24-36-81)69(101)91-61(41-48(9)10)74(106)94-62(75(107)108)42-49(11)12/h44-62,109H,13-43,76-82H2,1-12H3,(H,83,95)(H,84,96)(H,85,97)(H,86,98)(H,87,102)(H,88,103)(H,89,99)(H,90,100)(H,91,101)(H,92,104)(H,93,105)(H,94,106)(H,107,108)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
- InChIKey
- VJSCCFUQECHPRV-KFYGWLNDSA-N
- Compound name
- (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)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1569.1012 | 400.6 |
[M+Na]+ | 1591.0831 | 383.3 |
[M-H]- | 1567.0866 | 407.5 |
[M+NH4]+ | 1586.1277 | 395.6 |
[M+K]+ | 1607.0571 | 385.2 |
[M+H-H2O]+ | 1551.0912 | 372.7 |
[M+HCOO]- | 1613.0921 | 391.8 |
[M+CH3COO]- | 1627.1078 | 390.1 |
[M+Na-2H]- | 1589.0686 | 444.7 |
[M]+ | 1568.0934 | 401.7 |
[M]- | 1568.0944 | 401.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.