PubChemLite - Tyr-pro-phe (C23H27N3O5)

Structural Information

Molecular Formula

SMILES

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H27N3O5/c24-18(13-16-8-10-17(27)11-9-16)22(29)26-12-4-7-20(26)21(28)25-19(23(30)31)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-20,27H,4,7,12-14,24H2,(H,25,28)(H,30,31)

InChIKey

RCMWNNJFKNDKQR-UHFFFAOYSA-N

Compound name

2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	426.20235	201.3
[M+Na]+	448.18429	206.7
[M+NH4]+	443.22889	204.0
[M+K]+	464.15823	206.4
[M-H]-	424.18779	202.8
[M+Na-2H]-	446.16974	204.0
[M]+	425.19452	201.6
[M]-	425.19562	201.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.20235

201.3

[M+Na]+

448.18429

206.7

[M+NH4]+

443.22889

204.0

[M+K]+

464.15823

206.4

[M-H]-

424.18779

202.8

[M+Na-2H]-

446.16974

204.0

[M]+

425.19452

201.6

[M]-

425.19562

201.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tyr-pro-phe

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe