CID 131698175

Suc-val-pro-phe-4mbna

Structural Information

Molecular Formula
C35H42N4O7
SMILES
CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4C(=C3)OC)NC(=O)CCC(=O)OC
InChI
InChI=1S/C35H42N4O7/c1-22(2)32(38-30(40)16-17-31(41)46-4)35(44)39-18-10-15-28(39)34(43)37-27(19-23-11-6-5-7-12-23)33(42)36-25-20-24-13-8-9-14-26(24)29(21-25)45-3/h5-9,11-14,20-22,27-28,32H,10,15-19H2,1-4H3,(H,36,42)(H,37,43)(H,38,40)/t27-,28-,32-/m0/s1
InChIKey
PCQGEKIXXIYZMZ-HPSLPFNASA-N
Compound name
methyl 4-[[(2S)-1-[(2S)-2-[[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

630.30536 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.31264 245.6
[M+Na]+ 653.29458 248.7
[M+NH4]+ 648.33918 245.7
[M+K]+ 669.26852 248.9
[M-H]- 629.29808 247.3
[M+Na-2H]- 651.28003 246.6
[M]+ 630.30481 245.5
[M]- 630.30591 245.5
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.