CID 12952807

Ffglm-nh2(1+)

Structural Information

Molecular Formula
C31H44N6O5S
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N
InChI
InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)
InChIKey
RBKYMAQIAMFDOE-UHFFFAOYSA-N
Compound name
N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

2
Patents

612.3094 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.31668 240.0
[M+Na]+ 635.29862 237.4
[M+NH4]+ 630.34322 264.2
[M+K]+ 651.27256 236.3
[M-H]- 611.30212 240.3
[M+Na-2H]- 633.28407 239.9
[M]+ 612.30885 238.7
[M]- 612.30995 238.7
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