CID 5480947
Aeamsqvt
Structural Information
- Molecular Formula
- C33H57N9O14S
- SMILES
- C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)O
- InChI
- InChI=1S/C33H57N9O14S/c1-14(2)24(32(54)42-25(17(5)44)33(55)56)41-30(52)18(7-9-22(35)45)39-31(53)21(13-43)40-29(51)20(11-12-57-6)38-27(49)16(4)36-28(50)19(8-10-23(46)47)37-26(48)15(3)34/h14-21,24-25,43-44H,7-13,34H2,1-6H3,(H2,35,45)(H,36,50)(H,37,48)(H,38,49)(H,39,53)(H,40,51)(H,41,52)(H,42,54)(H,46,47)(H,55,56)/t15-,16-,17+,18-,19-,20-,21-,24-,25-/m0/s1
- InChIKey
- SGQDOVIIRXNGAW-RIDNTKEMSA-N
- Compound name
- (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 836.38188 | 277.3 |
[M+Na]+ | 858.36382 | 269.9 |
[M-H]- | 834.36732 | 284.0 |
[M+NH4]+ | 853.40842 | 278.6 |
[M+K]+ | 874.33776 | 268.9 |
[M+H-H2O]+ | 818.37186 | 256.2 |
[M+HCOO]- | 880.37280 | 278.6 |
[M+CH3COO]- | 894.38845 | 280.9 |
[M+Na-2H]- | 856.34927 | 320.0 |
[M]+ | 835.37405 | 312.8 |
[M]- | 835.37515 | 312.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.