CID 455004

(cbz-val-chbz)2p(o)oet

Structural Information

Molecular Formula
C44H55N4O8P
SMILES
CCOP(=O)(C(CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)C(CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C44H55N4O8P/c1-6-56-57(53,37(27-33-19-11-7-12-20-33)45-41(49)39(31(2)3)47-43(51)54-29-35-23-15-9-16-24-35)38(28-34-21-13-8-14-22-34)46-42(50)40(32(4)5)48-44(52)55-30-36-25-17-10-18-26-36/h7-26,31-32,37-40H,6,27-30H2,1-5H3,(H,45,49)(H,46,50)(H,47,51)(H,48,52)/t37?,38?,39-,40-,57?/m0/s1
InChIKey
ZYNSYUZXNBRQAI-NWWOQIGISA-N
Compound name
benzyl N-[(2S)-1-[[1-[ethoxy-[1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]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

798.37573 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.38301 281.9
[M+Na]+ 821.36495 269.3
[M-H]- 797.36845 288.1
[M+NH4]+ 816.40955 271.8
[M+K]+ 837.33889 273.1
[M+H-H2O]+ 781.37299 266.1
[M+HCOO]- 843.37393 297.5
[M+CH3COO]- 857.38958 303.4
[M+Na-2H]- 819.35040 272.5
[M]+ 798.37518 283.1
[M]- 798.37628 283.1
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.