CID 122177130

Sgx94 peptide

Structural Information

Molecular Formula
C25H47N9O5
SMILES
CC[C@H](C)C(C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C25H47N9O5/c1-6-14(4)19(33-21(36)16(26)9-7-11-30-25(28)29)23(38)32-18(13(2)3)24(39)34-12-8-10-17(34)22(37)31-15(5)20(27)35/h13-19H,6-12,26H2,1-5H3,(H2,27,35)(H,31,37)(H,32,38)(H,33,36)(H4,28,29,30)/t14-,15-,16-,17-,18-,19?/m0/s1
InChIKey
ZUJBBVJXXYRPFS-OUROWQTJSA-N
Compound name
(2S)-1-[(2S)-2-[[(3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

235
Patents

553.37 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.37728 235.9
[M+Na]+ 576.35922 257.9
[M+NH4]+ 571.40382 247.5
[M+K]+ 592.33316 231.7
[M-H]- 552.36272 257.4
[M+Na-2H]- 574.34467 252.9
[M]+ 553.36945 245.8
[M]- 553.37055 245.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.