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 248.6
[M+Na]+ 653.29458 243.2
[M-H]- 629.29808 255.2
[M+NH4]+ 648.33918 248.1
[M+K]+ 669.26852 243.4
[M+H-H2O]+ 613.30262 237.7
[M+HCOO]- 675.30356 260.4
[M+CH3COO]- 689.31921 274.4
[M+Na-2H]- 651.28003 240.3
[M]+ 630.30481 249.6
[M]- 630.30591 249.6
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.