benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate

CAS: 112573-73-6

Molecular Formula	`C21H23NO4S`
Molecular Weight	385.5 g/mol
LogP	3.3
Topological Polar Surface Area	97.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	11
Exact Mass	385.13477
Heavy Atoms	27
Complexity	485.0

Chemical Identifiers

CAS Number	112573-73-6
SMILES	`CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2`
InChIKey	`ODUOJXZPIYUATO-LJQANCHMSA-N`

📖 Product Overview

benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate (CAS: 112573-73-6) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.5 g/mol. Its IUPAC systematic name is benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate. LogP 3.3 Topological Polar Surface Area 97.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 11 Exact Mass 385.13477 Heavy Atoms 27 Complexity 485.0 InChI Key: ODUOJXZPIYUATO-LJQANCHMSA-N. SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2.

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