CID 485270

R-g-p-g-r

Structural Information

Molecular Formula
C21H39N11O5
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C=O
InChI
InChI=1S/C21H39N11O5/c22-14(5-2-8-28-21(25)26)18(36)30-11-17(35)32-9-3-6-15(32)19(37)29-10-16(34)31-13(12-33)4-1-7-27-20(23)24/h12-15H,1-11,22H2,(H,29,37)(H,30,36)(H,31,34)(H4,23,24,27)(H4,25,26,28)/t13-,14-,15-/m0/s1
InChIKey
QULYYJRHLWGRPK-KKUMJFAQSA-N
Compound name
(2S)-1-[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

525.31354 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.32082 227.1
[M+Na]+ 548.30276 225.0
[M-H]- 524.30626 224.3
[M+NH4]+ 543.34736 228.2
[M+K]+ 564.27670 230.7
[M+H-H2O]+ 508.31080 208.1
[M+HCOO]- 570.31174 229.4
[M+CH3COO]- 584.32739 275.3
[M+Na-2H]- 546.28821 260.0
[M]+ 525.31299 257.2
[M]- 525.31409 257.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.