Structural Information

Molecular Formula
C30H52N10O10
SMILES
C[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N
InChI
InChI=1S/C30H52N10O10/c1-12(11-41)32-23(43)14(3)34-25(45)16(5)36-27(47)18(7)38-29(49)20(9)40-30(50)21(10)39-28(48)19(8)37-26(46)17(6)35-24(44)15(4)33-22(42)13(2)31/h11-21H,31H2,1-10H3,(H,32,43)(H,33,42)(H,34,45)(H,35,44)(H,36,47)(H,37,46)(H,38,49)(H,39,48)(H,40,50)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey
CYZKNRSDZWVWBC-VIRCYEFFSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

712.3868 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.39408 265.3
[M+Na]+ 735.37602 258.7
[M-H]- 711.37952 271.2
[M+NH4]+ 730.42062 267.0
[M+K]+ 751.34996 257.1
[M+H-H2O]+ 695.38406 244.3
[M+HCOO]- 757.38500 267.3
[M+CH3COO]- 771.40065 309.2
[M+Na-2H]- 733.36147 309.0
[M]+ 712.38625 305.3
[M]- 712.38735 305.3
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.