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

Systemtic Name: 2-[[2-cyclohexylethyl(2-ethanoylsulfanylethyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-(2-cyclohexylethyl)amino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(acetylthio)ethyl-(2-cyclohexylethyl)carbamoyl]amino]-3-phenyl-propionate Formula: C22H31N2O4S- MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C22H32N2O4S/c1-17(25)29-15-14-24(13-12-18-8-4-2-5-9-18)22(28)23-20(21(26)27)16-19-10-6-3-7-11-19/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,28)(H,26,27)/p-1