CID 5748890
114082-56-3
Structural Information
- Molecular Formula
- C28H30N8O7S
- SMILES
- CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CNC5=NC(=NC=C5C4=O)N6CCNCC6)C(=O)O)C
- InChI
- InChI=1S/C28H30N8O7S/c1-28(2)20(26(42)43)36-24(41)18(25(36)44-28)33-23(40)17(13-3-5-14(37)6-4-13)32-22(39)16-12-30-21-15(19(16)38)11-31-27(34-21)35-9-7-29-8-10-35/h3-6,11-12,17-18,20,25,29,37H,7-10H2,1-2H3,(H,32,39)(H,33,40)(H,42,43)(H,30,31,34,38)/t17?,18-,20+,25-/m1/s1
- InChIKey
- RGEQDJPBCCKBNX-AIXNMGRTSA-N
- Compound name
- (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[(5-oxo-2-piperazin-1-yl-8H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 623.20308 | 241.6 |
[M+Na]+ | 645.18502 | 239.5 |
[M-H]- | 621.18852 | 241.4 |
[M+NH4]+ | 640.22962 | 230.5 |
[M+K]+ | 661.15896 | 239.1 |
[M+H-H2O]+ | 605.19306 | 225.7 |
[M+HCOO]- | 667.19400 | 236.2 |
[M+CH3COO]- | 681.20965 | 240.2 |
[M+Na-2H]- | 643.17047 | 233.1 |
[M]+ | 622.19525 | 248.7 |
[M]- | 622.19635 | 248.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.