L-Tryptophan, 2-[3-methyl-1-oxo-3-(phenylthio)butyl]-N-[1-[(2,2,2-trichloroethoxy)carbonyl]-L-prolyl]-, methyl ester

SpectraBase Compound ID	5RGQiSwlHZv
InChI	InChI=1S/C31H34Cl3N3O6S/c1-30(2,44-19-10-5-4-6-11-19)17-25(38)26-21(20-12-7-8-13-22(20)35-26)16-23(28(40)42-3)36-27(39)24-14-9-15-37(24)29(41)43-18-31(32,33)34/h4-8,10-13,23-24,35H,9,14-18H2,1-3H3,(H,36,39)/t23-,24-/m0/s1
InChIKey	TVEVWAOYDGUHLJ-ZEQRLZLVSA-N Google Search
Mol Weight	683.0 g/mol
Molecular Formula	C31H34Cl3N3O6S
Exact Mass	681.12339 g/mol

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SpectraBase Spectrum ID	3etMuF8b6ke
Name	L-Tryptophan, 2-[3-methyl-1-oxo-3-(phenylthio)butyl]-N-[1-[(2,2,2-trichloroethoxy)carbonyl]-L-prolyl]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	681.123390095 u
Formula	C31H34Cl3N3O6S
InChI	InChI=1S/C31H34Cl3N3O6S/c1-30(2,44-19-10-5-4-6-11-19)17-25(38)26-21(20-12-7-8-13-22(20)35-26)16-23(28(40)42-3)36-27(39)24-14-9-15-37(24)29(41)43-18-31(32,33)34/h4-8,10-13,23-24,35H,9,14-18H2,1-3H3,(H,36,39)/t23-,24-/m0/s1
InChIKey	TVEVWAOYDGUHLJ-ZEQRLZLVSA-N
Molecular Weight	683.047 g/mol
SMILES	C1(=C(NC=2C1=CC=CC2)C(CC(SC1=CC=CC=C1)(C)C)=O)C[C@](NC([C@]1(N(C(OCC(Cl)(Cl)Cl)=O)CCC1)[H])=O)(C(=O)OC)[H]