2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]pentanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]pentanoate Openeye Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]pentanoate CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]pentanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]pentanoate Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]valerate Formula: C18H25N2O4S- MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

Isomeric SMILES

CCCC(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-3-7-16(17(22)23)19-18(24)20(12-13-25-14(2)21)11-10-15-8-5-4-6-9-15/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,19,24)(H,22,23)/p-1