CID 461045

Ser-leu-asn-nh-1bz-2oxo(3-ph)pr

Structural Information

Molecular Formula
C29H39N5O6
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2)NC(=O)[C@H](CO)N
InChI
InChI=1S/C29H39N5O6/c1-18(2)13-23(33-27(38)21(30)17-35)28(39)34-24(16-26(31)37)29(40)32-22(14-19-9-5-3-6-10-19)25(36)15-20-11-7-4-8-12-20/h3-12,18,21-24,35H,13-17,30H2,1-2H3,(H2,31,37)(H,32,40)(H,33,38)(H,34,39)/t21-,22-,23-,24-/m0/s1
InChIKey
VASXFOPDBZIGSQ-ZJZGAYNASA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-3-oxo-1,4-diphenylbutan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

553.29004 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.29732 235.4
[M+Na]+ 576.27926 228.4
[M-H]- 552.28276 236.8
[M+NH4]+ 571.32386 235.0
[M+K]+ 592.25320 229.8
[M+H-H2O]+ 536.28730 224.6
[M+HCOO]- 598.28824 249.2
[M+CH3COO]- 612.30389 265.4
[M+Na-2H]- 574.26471 225.3
[M]+ 553.28949 230.9
[M]- 553.29059 230.9
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.