CID 475531

Choco-pro-ile-valnh2

Structural Information

Molecular Formula
C18H30N4O5
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)C=O
InChI
InChI=1S/C18H30N4O5/c1-5-11(4)15(18(27)20-14(10(2)3)16(19)25)21-17(26)12-7-6-8-22(12)13(24)9-23/h9-12,14-15H,5-8H2,1-4H3,(H2,19,25)(H,20,27)(H,21,26)/t11-,12-,14-,15-/m0/s1
InChIKey
JPMPCFBBZLDOCH-JURCDPSOSA-N
Compound name
(2S)-N-[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-oxaldehydoylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.22162 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22890 194.2
[M+Na]+ 405.21084 193.1
[M-H]- 381.21434 194.6
[M+NH4]+ 400.25544 204.2
[M+K]+ 421.18478 194.1
[M+H-H2O]+ 365.21888 186.4
[M+HCOO]- 427.21982 209.0
[M+CH3COO]- 441.23547 229.4
[M+Na-2H]- 403.19629 184.6
[M]+ 382.22107 191.3
[M]- 382.22217 191.3
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.