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

1
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

patents stripe