CID 504525

N(bzl)2-ser-met-nh-tbu

Structural Information

Molecular Formula
C26H37N3O3S
SMILES
CC(C)(C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C26H37N3O3S/c1-26(2,3)28-24(31)22(15-16-33-4)27-25(32)23(19-30)29(17-20-11-7-5-8-12-20)18-21-13-9-6-10-14-21/h5-14,22-23,30H,15-19H2,1-4H3,(H,27,32)(H,28,31)/t22-,23-/m0/s1
InChIKey
TUZKZDUWZQZVSG-GOTSBHOMSA-N
Compound name
(2S)-N-tert-butyl-2-[[(2S)-2-(dibenzylamino)-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.25555 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.26283 217.6
[M+Na]+ 494.24477 215.3
[M-H]- 470.24827 221.5
[M+NH4]+ 489.28937 224.0
[M+K]+ 510.21871 212.0
[M+H-H2O]+ 454.25281 207.6
[M+HCOO]- 516.25375 230.0
[M+CH3COO]- 530.26940 243.3
[M+Na-2H]- 492.23022 214.9
[M]+ 471.25500 219.8
[M]- 471.25610 219.8
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.