2-[(2-cyclohexylethylcarbamoylamino)-phenyl-methyl]-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-cyclohexylethylcarbamoylamino)-phenyl-methyl]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(2-cyclohexylethylamino)-oxomethyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(2-cyclohexylethylcarbamoylamino)-phenylmethyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(2-cyclohexylethylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2CCCCC2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(C(C1=CC=CC=C1)NC(=O)NCCC2CCCCC2)C(=O)O

InChI

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