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]+ 611.297616 241.4
[M+Na]+ 633.279558 236.7
[M-H]- 609.283064 249.2
[M+NH4]+ 628.324163 240.7
[M+K]+ 649.253498 235.8
[M+H-H2O]+ 593.287600 228.3
[M+HCOO]- 655.288541 261.3
[M+CH3COO]- 669.304191 278.9
[M+Na-2H]- 631.265006 240.6
[M]+ 610.28979142 240.0
[M]- 610.29088858 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.