CID 25108712

L-argininamide, n-((phenylmethoxy)carbonyl)-l-phenylalanyl-n-(4-methoxy-2-naphthalenyl)-, monohydrochloride

Structural Information

Molecular Formula
C34H38N6O5
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C34H38N6O5/c1-44-30-21-26(20-25-15-8-9-16-27(25)30)38-31(41)28(17-10-18-37-33(35)36)39-32(42)29(19-23-11-4-2-5-12-23)40-34(43)45-22-24-13-6-3-7-14-24/h2-9,11-16,20-21,28-29H,10,17-19,22H2,1H3,(H,38,41)(H,39,42)(H,40,43)(H4,35,36,37)/t28-,29-/m0/s1
InChIKey
SKVCFQIWNJKEDN-VMPREFPWSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.29034 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.29762 241.4
[M+Na]+ 633.27956 236.7
[M-H]- 609.28306 249.2
[M+NH4]+ 628.32416 240.7
[M+K]+ 649.25350 235.8
[M+H-H2O]+ 593.28760 228.3
[M+HCOO]- 655.28854 261.3
[M+CH3COO]- 669.30419 278.9
[M+Na-2H]- 631.26501 240.6
[M]+ 610.28979 240.0
[M]- 610.29089 240.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.