Gly-Phe-Gly-Phe-AFC.TFA|GFGF-AFC.TFA|(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]acetamido}-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-phenylpropanamide|Gly-Phe-Gly-Phe-7-Amino-4-t...

General Information

Structure

Molecular Formula

C₃₂H₃₀F₃N₅O₆

Molecular Mass

637.6057096

Exact Mass

637.21481837

Charge

InChI

InChI=1S/C32H30F3N5O6/c33-32(34,35)23-16-29(43)46-26-15-21(11-12-22(23)26)38-31(45)25(14-20-9-5-2-6-10-20)40-28(42)18-37-30(44)24(39-27(41)17-36)13-19-7-3-1-4-8-19/h1-12,15-16,24-25H,13-14,17-18,36H2,(H,37,44)(H,38,45)(H,39,41)(H,40,42)/t24-,25-/m0/s1

InChIKey

DOKWOSPJLFDDJU-DQEYMECFSA-N

Canonic Smiles

NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)Cc1ccccc1)Cc1ccccc1

Isomeric Smiles

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc2oc(=O)cc(c2cc1)C(F)(F)F

Calculated Properties

JChem

Acid pKa

11.552983

H Acceptors

H Donor