4-methylsulfanyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(phenethylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 4-(methylthio)-2-[[[oxo-(phenethylamino)methyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(phenethylcarbamoylamino)-phenylmethyl]butanoic acid Traditional Name: 4-(methylthio)-2-[(phenethylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSCCC(C(C1=CC=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

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