CID 16073817

(2s)-2-acetamido-n-[(1s)-1-[[(1s,2s)-1-formyl-2-methyl-butyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide

Structural Information

Molecular Formula
C20H37N3O4
SMILES
CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C
InChI
InChI=1S/C20H37N3O4/c1-8-14(6)18(11-24)23-20(27)17(10-13(4)5)22-19(26)16(9-12(2)3)21-15(7)25/h11-14,16-18H,8-10H2,1-7H3,(H,21,25)(H,22,26)(H,23,27)/t14-,16-,17-,18+/m0/s1
InChIKey
DLRPUKMWLNDMNQ-LEUOFYLZSA-N
Compound name
(2S)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2S,3S)-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.2784 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28568 202.5
[M+Na]+ 406.26762 223.7
[M-H]- 382.27112 216.5
[M+NH4]+ 401.31222 219.3
[M+K]+ 422.24156 201.9
[M+H-H2O]+ 366.27566 195.0
[M+HCOO]- 428.27660 199.6
[M+CH3COO]- 442.29225 234.7
[M+Na-2H]- 404.25307 192.3
[M]+ 383.27785 202.8
[M]- 383.27895 202.8
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.