CID 3064932

Brn 6260708

Structural Information

Molecular Formula
C25H41ClN8O7
SMILES
CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC=O)N
InChI
InChI=1S/C25H41ClN8O7/c1-16(2)20(23(38)30-22(37)19-9-6-13-33(19)25(40)34(31-41)14-10-26)29-21(36)18-8-5-12-32(18)24(39)17(27)7-3-4-11-28-15-35/h15-20H,3-14,27H2,1-2H3,(H,28,35)(H,29,36)(H,30,37,38)/t17-,18-,19-,20-/m0/s1
InChIKey
JYBZATLITVSDKL-MUGJNUQGSA-N
Compound name
(2S)-2-N-[(2S)-2-[[(2S)-1-[(2S)-2-amino-6-formamidohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]-1-N-(2-chloroethyl)-1-N-nitrosopyrrolidine-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.2787 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.28598 238.2
[M+Na]+ 623.26792 232.2
[M-H]- 599.27142 243.1
[M+NH4]+ 618.31252 255.1
[M+K]+ 639.24186 234.9
[M+H-H2O]+ 583.27596 229.1
[M+HCOO]- 645.27690 236.3
[M+CH3COO]- 659.29255 275.1
[M+Na-2H]- 621.25337 228.1
[M]+ 600.27815 238.8
[M]- 600.27925 238.8
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.