CID 455972

L-phe-l-val-ome oxalamide deriv.

Structural Information

Molecular Formula
C32H42N4O8
SMILES
CC(C)[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)OC
InChI
InChI=1S/C32H42N4O8/c1-19(2)25(31(41)43-5)35-27(37)23(17-21-13-9-7-10-14-21)33-29(39)30(40)34-24(18-22-15-11-8-12-16-22)28(38)36-26(20(3)4)32(42)44-6/h7-16,19-20,23-26H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t23-,24-,25-,26-/m0/s1
InChIKey
KHNMMELKGQHCGG-CQJMVLFOSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoacetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.3003 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.30758 248.0
[M+Na]+ 633.28952 240.8
[M-H]- 609.29302 242.8
[M+NH4]+ 628.33412 244.8
[M+K]+ 649.26346 244.8
[M+H-H2O]+ 593.29756 237.4
[M+HCOO]- 655.29850 217.7
[M+CH3COO]- 669.31415 273.5
[M+Na-2H]- 631.27497 237.0
[M]+ 610.29975 219.9
[M]- 610.30085 219.9
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.