CID 10485616

146063-29-8

Structural Information

Molecular Formula
C45H57N4O9P
SMILES
CCOP(=O)([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)C(C(CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O
InChI
InChI=1S/C45H57N4O9P/c1-6-58-59(55,38(28-34-21-13-8-14-22-34)47-42(51)40(32(4)5)49-45(54)57-30-36-25-17-10-18-26-36)43(52)37(27-33-19-11-7-12-20-33)46-41(50)39(31(2)3)48-44(53)56-29-35-23-15-9-16-24-35/h7-26,31-32,37-40,43,52H,6,27-30H2,1-5H3,(H,46,50)(H,47,51)(H,48,53)(H,49,54)/t37?,38-,39+,40+,43?,59?/m1/s1
InChIKey
CJXVNUDJJMYDLS-BAMRXDIDSA-N
Compound name
benzyl N-[(2S)-1-[[(1R)-1-[ethoxy-[1-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]phosphoryl]-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.3863 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.39358 274.0
[M+Na]+ 851.37552 279.9
[M-H]- 827.37902 281.5
[M+NH4]+ 846.42012 279.1
[M+K]+ 867.34946 268.0
[M+H-H2O]+ 811.38356 250.1
[M+HCOO]- 873.38450 279.8
[M+CH3COO]- 887.40015 306.9
[M+Na-2H]- 849.36097 304.8
[M]+ 828.38575 316.2
[M]- 828.38685 316.2
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.