CID 44208910

Glycylalanylprolylmethionylphenylalanylvalinamide

Structural Information

Molecular Formula
C29H45N7O6S
SMILES
CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CN
InChI
InChI=1S/C29H45N7O6S/c1-17(2)24(25(31)38)35-27(40)21(15-19-9-6-5-7-10-19)34-26(39)20(12-14-43-4)33-28(41)22-11-8-13-36(22)29(42)18(3)32-23(37)16-30/h5-7,9-10,17-18,20-22,24H,8,11-16,30H2,1-4H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)
InChIKey
WSOXREPRCVQMSJ-UHFFFAOYSA-N
Compound name
1-[2-[(2-aminoacetyl)amino]propanoyl]-N-[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

619.3152 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.32248 246.7
[M+Na]+ 642.30442 237.5
[M-H]- 618.30792 247.8
[M+NH4]+ 637.34902 241.5
[M+K]+ 658.27836 239.5
[M+H-H2O]+ 602.31246 236.8
[M+HCOO]- 664.31340 217.4
[M+CH3COO]- 678.32905 278.7
[M+Na-2H]- 640.28987 277.8
[M]+ 619.31465 289.6
[M]- 619.31575 289.6
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

No patent data available for this compound.