CID 92042776

L-phpg-l-arg

Structural Information

Molecular Formula
C14H21N5O4
SMILES
C1=CC(=CC=C1[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O
InChI
InChI=1S/C14H21N5O4/c15-11(8-3-5-9(20)6-4-8)12(21)19-10(13(22)23)2-1-7-18-14(16)17/h3-6,10-11,20H,1-2,7,15H2,(H,19,21)(H,22,23)(H4,16,17,18)/t10-,11-/m0/s1
InChIKey
YGJWDZHQJBXRDU-QWRGUYRKSA-N
Compound name
(2S)-2-[[(2S)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

323.15936 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16664 175.1
[M+Na]+ 346.14858 175.7
[M-H]- 322.15208 175.2
[M+NH4]+ 341.19318 185.3
[M+K]+ 362.12252 175.1
[M+H-H2O]+ 306.15662 166.3
[M+HCOO]- 368.15756 195.9
[M+CH3COO]- 382.17321 219.7
[M+Na-2H]- 344.13403 172.0
[M]+ 323.15881 168.6
[M]- 323.15991 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe