2-[[2-ethanoylsulfanylethyl(3-methylbutyl)carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl(3-methylbutyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-acetylsulfanylethyl(isopentyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-(3-methylbutyl)amino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(3-methylbutyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(acetylthio)ethyl-isoamyl-carbamoyl]amino]-3-phenyl-propionate Formula: C19H27N2O4S- MolecularWeight: 379.49368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CCN(CCSC(=O)C)C(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

InChI

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