CID 54536440

L-methionyl-l-phenylalanyl-l-methionine

Structural Information

Molecular Formula
C19H29N3O4S2
SMILES
CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)N
InChI
InChI=1S/C19H29N3O4S2/c1-27-10-8-14(20)17(23)22-16(12-13-6-4-3-5-7-13)18(24)21-15(19(25)26)9-11-28-2/h3-7,14-16H,8-12,20H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t14-,15-,16-/m0/s1
InChIKey
ZACMJPCWVSLCNS-JYJNAYRXSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1694
Patents

427.15994 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16722 200.1
[M+Na]+ 450.14916 197.8
[M-H]- 426.15266 198.4
[M+NH4]+ 445.19376 207.2
[M+K]+ 466.12310 193.2
[M+H-H2O]+ 410.15720 191.0
[M+HCOO]- 472.15814 205.7
[M+CH3COO]- 486.17379 230.7
[M+Na-2H]- 448.13461 194.1
[M]+ 427.15939 200.6
[M]- 427.16049 200.6
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