CID 482918

Val-apns-thz-nh-tert-butyl

Structural Information

Molecular Formula
C23H36N4O4S
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)O)N
InChI
InChI=1S/C23H36N4O4S/c1-14(2)18(24)21(30)25-16(11-15-9-7-6-8-10-15)19(28)22(31)27-13-32-12-17(27)20(29)26-23(3,4)5/h6-10,14,16-19,28H,11-13,24H2,1-5H3,(H,25,30)(H,26,29)/t16-,17-,18-,19-/m0/s1
InChIKey
HBVLFAVBWXWGNV-VJANTYMQSA-N
Compound name
(4R)-3-[(2S,3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.24573 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.25301 212.7
[M+Na]+ 487.23495 209.6
[M-H]- 463.23845 214.2
[M+NH4]+ 482.27955 219.0
[M+K]+ 503.20889 208.4
[M+H-H2O]+ 447.24299 204.8
[M+HCOO]- 509.24393 219.2
[M+CH3COO]- 523.25958 239.2
[M+Na-2H]- 485.22040 204.6
[M]+ 464.24518 209.8
[M]- 464.24628 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.