CID 3037682

Benzoyloxycarbonylglycyl-glycyl-arginine-4-methoxy-2-naphthylamide

Structural Information

Molecular Formula
C29H35N7O6
SMILES
COC1=CC(=CC2=CC=CC=C21)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C29H35N7O6/c1-41-24-15-21(14-20-10-5-6-11-22(20)24)35-23(12-7-13-32-28(30)31)27(39)36-26(38)17-33-25(37)16-34-29(40)42-18-19-8-3-2-4-9-19/h2-6,8-11,14-15,23,35H,7,12-13,16-18H2,1H3,(H,33,37)(H,34,40)(H4,30,31,32)(H,36,38,39)/t23-/m0/s1
InChIKey
WELZRAVJIWRTKV-QHCPKHFHSA-N
Compound name
benzyl N-[2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[(4-methoxynaphthalen-2-yl)amino]pentanoyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.2649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.27218 231.1
[M+Na]+ 600.25412 227.0
[M-H]- 576.25762 236.5
[M+NH4]+ 595.29872 232.1
[M+K]+ 616.22806 227.9
[M+H-H2O]+ 560.26216 218.9
[M+HCOO]- 622.26310 253.0
[M+CH3COO]- 636.27875 275.4
[M+Na-2H]- 598.23957 230.7
[M]+ 577.26435 230.5
[M]- 577.26545 230.5
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.