L-N-[N-acetyl-3-(benzylthio)-DL-alanyl]-3-(benzylthio)alanine methyl ester

SpectraBase Compound ID	A7F07kfyBDo
InChI	InChI=1S/C23H28N2O4S2/c1-17(26)24-20(15-30-13-18-9-5-3-6-10-18)22(27)25-21(23(28)29-2)16-31-14-19-11-7-4-8-12-19/h3-12,20-21H,13-16H2,1-2H3,(H,24,26)(H,25,27)/t20-,21?/m1/s1
InChIKey	WKEDIYWPFURIRX-VQCQRNETSA-N Google Search
Mol Weight	460.61 g/mol
Molecular Formula	C23H28N2O4S2
Exact Mass	460.14905 g/mol

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SpectraBase Spectrum ID	A2LfWADIvLw
Name	L-N-[N-acetyl-3-(benzylthio)-DL-alanyl]-3-(benzylthio)alanine methyl ester
Source of Sample	T. Martin, Mead Johnson Research Center, Evansville, Indiana
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H28N2O4S2
InChI	InChI=1S/C23H28N2O4S2/c1-17(26)24-20(15-30-13-18-9-5-3-6-10-18)22(27)25-21(23(28)29-2)16-31-14-19-11-7-4-8-12-19/h3-12,20-21H,13-16H2,1-2H3,(H,24,26)(H,25,27)/t20-,21?/m1/s1
InChIKey	WKEDIYWPFURIRX-VQCQRNETSA-N
Literature Reference	JMCH 12, 950(1969)
Melting Point	136.5-137.5C
Molecular Weight	460.606995
Synonyms	L-2-(DL-2-ACETAMIDO-3-(BENZYLTHIO)PROPIONAMIDO]-3-(BENZYLTHIO)PROPIONIC ACID, METHYL ESTER PROPIONIC ACID, 2-/DL-2-ACETAMIDO- 3-/BENZYLTHIO/PROPIONAMIDO/-3-/BENZYL- THIO/-, METHYL ESTER, L-, ALANINE, N-/N-ACETYL-3-/BENZYL- THIO/-DL-ALANYL/-3-/BENZYLTHIO/-, METHYL ESTER, L-,
Technique	KBr WAFER