CID 42630677

Tetrapeptide-21

Structural Information

Molecular Formula
C15H27N5O7
SMILES
C(CCN)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CN
InChI
InChI=1S/C15H27N5O7/c16-6-2-1-3-9(14(26)18-8-13(24)25)20-15(27)10(4-5-12(22)23)19-11(21)7-17/h9-10H,1-8,16-17H2,(H,18,26)(H,19,21)(H,20,27)(H,22,23)(H,24,25)/t9-,10-/m0/s1
InChIKey
CUVSTAMIHSSVKL-UWVGGRQHSA-N
Compound name
(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2282
Patents

389.19104 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19832 201.5
[M+Na]+ 412.18026 217.1
[M+NH4]+ 407.22486 208.7
[M+K]+ 428.15420 210.6
[M-H]- 388.18376 214.1
[M+Na-2H]- 410.16571 213.4
[M]+ 389.19049 207.2
[M]- 389.19159 207.2
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