CID 86296257

Cn-105

Structural Information

Molecular Formula
C28H55N15O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)C
InChI
InChI=1S/C28H55N15O7/c1-14(2)20(39-15(3)45)25(50)43-19(13-44)24(49)42-18(9-6-12-38-28(34)35)23(48)41-17(8-5-11-37-27(32)33)22(47)40-16(21(29)46)7-4-10-36-26(30)31/h14,16-20,44H,4-13H2,1-3H3,(H2,29,46)(H,39,45)(H,40,47)(H,41,48)(H,42,49)(H,43,50)(H4,30,31,36)(H4,32,33,37)(H4,34,35,38)/t16-,17-,18-,19-,20-/m0/s1
InChIKey
ZPSIKZCGZCSUNF-HVTWWXFQSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

713.4409 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.44818 256.0
[M+Na]+ 736.43012 248.5
[M-H]- 712.43362 257.5
[M+NH4]+ 731.47472 256.5
[M+K]+ 752.40406 254.9
[M+H-H2O]+ 696.43816 235.9
[M+HCOO]- 758.43910 256.7
[M+CH3COO]- 772.45475 259.2
[M+Na-2H]- 734.41557 303.0
[M]+ 713.44035 290.3
[M]- 713.44145 290.3
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

patents stripe