2-ethanoylsulfanylethyl 3-(3-methylbutylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-(3-methylbutylcarbamoylamino)-3-phenyl-propanoate Openeye Name: 2-acetylsulfanylethyl 3-(isopentylcarbamoylamino)-3-phenyl-propanoate CAS Name: 3-[[(3-methylbutylamino)-oxomethyl]amino]-3-phenylpropanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-(3-methylbutylcarbamoylamino)-3-phenylpropanoate Traditional Name: 3-(isoamylcarbamoylamino)-3-phenyl-propionic acid 2-(acetylthio)ethyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC(=O)OCCSC(=O)C)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(CC(=O)OCCSC(=O)C)C1=CC=CC=C1

InChI

InChI=1S/C19H28N2O4S/c1-14(2)9-10-20-19(24)21-17(16-7-5-4-6-8-16)13-18(23)25-11-12-26-15(3)22/h4-8,14,17H,9-13H2,1-3H3,(H2,20,21,24)