CID 9962075

Decanoyl-rvkr-cmk

Structural Information

Molecular Formula
C34H66ClN11O5
SMILES
CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl
InChI
InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1
InChIKey
NHBJTTGFHCHQHS-VZTVMPNDSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

285
Patents

743.4937 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.50098 256.8
[M+Na]+ 766.48292 254.3
[M-H]- 742.48642 257.9
[M+NH4]+ 761.52752 258.8
[M+K]+ 782.45686 254.9
[M+H-H2O]+ 726.49096 237.8
[M+HCOO]- 788.49190 259.4
[M+CH3COO]- 802.50755 317.4
[M+Na-2H]- 764.46837 300.7
[M]+ 743.49315 294.9
[M]- 743.49425 294.9
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

patents stripe