2-[[2-methylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[2-methylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-methylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(methylthio)ethyl-phenethylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-methylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(methylthio)ethyl-phenethyl-carbamoyl]amino]-3-phenyl-propionate Formula: C21H25N2O3S- MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CSCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O3S/c1-27-15-14-23(13-12-17-8-4-2-5-9-17)21(26)22-19(20(24)25)16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,26)(H,24,25)/p-1