3-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]phenyl]benzoic acid methyl ester

SpectraBase Compound ID	932QLS4zVTo
InChI	InChI=1S/C17H20N2O2S/c1-21-17(20)14-4-2-3-13(9-14)12-5-7-16(8-6-12)19-10-15(18)11-22/h2-9,15,19,22H,10-11,18H2,1H3/t15-/m1/s1
InChIKey	XJBBINSSZZHBDZ-OAHLLOKOSA-N Google Search
Mol Weight	316.42 g/mol
Molecular Formula	C17H20N2O2S
Exact Mass	316.124549 g/mol

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SpectraBase Spectrum ID	CQ9BoWiEwSL
Name	3-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]phenyl]benzoic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H20N2O2S
InChI	InChI=1S/C17H20N2O2S/c1-21-17(20)14-4-2-3-13(9-14)12-5-7-16(8-6-12)19-10-15(18)11-22/h2-9,15,19,22H,10-11,18H2,1H3/t15-/m1/s1
InChIKey	XJBBINSSZZHBDZ-OAHLLOKOSA-N
Molecular Weight	316.419 g/mol
SMILES	N(c1ccc(-c2cc(C(=O)OC)ccc2)cc1)C[C@](CS)(N)[H]
SPLASH	splash10-0006-0091000000-6ca93f6e00ef1aedb558
Source of Spectrum	E1-39-223-9
Synonyms	Methyl 3-[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]phenyl]benzoate Methyl 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]phenyl]benzoate 3-[4-[[(2R)-2-amino-3-mercaptopropyl]amino]phenyl]benzoic acid methyl ester
Wiley ID	1598698