CID 15954563
Boc-achpa-glu-nhch2ch2(4-mes-ph)
Structural Information
- Molecular Formula
- C30H47N3O7S
- SMILES
- CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)NCCC2=CC=C(C=C2)SC)O
- InChI
- InChI=1S/C30H47N3O7S/c1-30(2,3)40-29(39)33-24(18-21-8-6-5-7-9-21)25(34)19-26(35)32-23(14-15-27(36)37)28(38)31-17-16-20-10-12-22(41-4)13-11-20/h10-13,21,23-25,34H,5-9,14-19H2,1-4H3,(H,31,38)(H,32,35)(H,33,39)(H,36,37)/t23-,24-,25-/m0/s1
- InChIKey
- IDFVLEIBLBNCHN-SDHOMARFSA-N
- Compound name
- (4S)-4-[[(3S,4S)-5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-5-[2-(4-methylsulfanylphenyl)ethylamino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 594.32078 | 239.8 |
[M+Na]+ | 616.30272 | 231.6 |
[M-H]- | 592.30622 | 238.9 |
[M+NH4]+ | 611.34732 | 239.1 |
[M+K]+ | 632.27666 | 230.8 |
[M+H-H2O]+ | 576.31076 | 230.7 |
[M+HCOO]- | 638.31170 | 242.9 |
[M+CH3COO]- | 652.32735 | 260.9 |
[M+Na-2H]- | 614.28817 | 231.9 |
[M]+ | 593.31295 | 239.1 |
[M]- | 593.31405 | 239.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.