CID 511074

L-norvalinamide, n-[(1,1-dimethylethoxy)carbonyl]-l-valyl-l-phenylalanyl-n1-[(2s)-2-phenylpropyl]-

Structural Information

Molecular Formula
C33H48N4O5
SMILES
CCC[C@@H](C(=O)NC[C@@H](C)C1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C33H48N4O5/c1-8-15-26(29(38)34-21-23(4)25-18-13-10-14-19-25)35-30(39)27(20-24-16-11-9-12-17-24)36-31(40)28(22(2)3)37-32(41)42-33(5,6)7/h9-14,16-19,22-23,26-28H,8,15,20-21H2,1-7H3,(H,34,38)(H,35,39)(H,36,40)(H,37,41)/t23-,26+,27+,28+/m1/s1
InChIKey
ZKZYLRYSBJMZPU-OHXOMFROSA-N
Compound name
tert-butyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]pentan-2-yl]amino]-3-phenylpropan-2-yl]amino]butan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

580.3625 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.36978 246.5
[M+Na]+ 603.35172 240.0
[M-H]- 579.35522 249.9
[M+NH4]+ 598.39632 247.2
[M+K]+ 619.32566 240.7
[M+H-H2O]+ 563.35976 236.1
[M+HCOO]- 625.36070 259.9
[M+CH3COO]- 639.37635 269.6
[M+Na-2H]- 601.33717 238.6
[M]+ 580.36195 247.1
[M]- 580.36305 247.1
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.