CID 484126
Ksl1
Structural Information
- Molecular Formula
- C59H108N16O10
- SMILES
- CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(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)N
- InChI
- InChI=1S/C59H108N16O10/c1-35(2)46(56(82)69-42(26-14-19-31-62)52(78)71-45(34-39-22-10-9-11-23-39)55(81)67-41(50(66)76)25-13-18-30-61)72-54(80)44(28-16-21-33-64)70-57(83)47(36(3)4)74-59(85)49(38(7)8)75-58(84)48(37(5)6)73-53(79)43(27-15-20-32-63)68-51(77)40(65)24-12-17-29-60/h9-11,22-23,35-38,40-49H,12-21,24-34,60-65H2,1-8H3,(H2,66,76)(H,67,81)(H,68,77)(H,69,82)(H,70,83)(H,71,78)(H,72,80)(H,73,79)(H,74,85)(H,75,84)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
- InChIKey
- AAXZYKGOWKLYEW-CUZNLEPHSA-N
- Compound name
- (2S)-2,6-diamino-N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]hexanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1201.8507 | 346.1 |
[M+Na]+ | 1223.8326 | 334.5 |
[M-H]- | 1199.8361 | 352.7 |
[M+NH4]+ | 1218.8772 | 345.0 |
[M+K]+ | 1239.8066 | 337.1 |
[M+H-H2O]+ | 1183.8407 | 319.5 |
[M+HCOO]- | 1245.8416 | 342.8 |
[M+CH3COO]- | 1259.8573 | 342.9 |
[M+Na-2H]- | 1221.8181 | 395.5 |
[M]+ | 1200.8429 | 373.0 |
[M]- | 1200.8439 | 373.0 |