2-(hexanoylamino)-2,3-bis(4-methoxyphenyl)-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-(hexanoylamino)-2,3-bis(4-methoxyphenyl)-3-methylsulfanyl-propanoic acid Openeye Name: 2-(hexanoylamino)-2,3-bis(4-methoxyphenyl)-3-methylsulfanyl-propanoic acid CAS Name: 2,3-bis(4-methoxyphenyl)-3-(methylthio)-2-(1-oxohexylamino)propanoic acid IUPAC Name: 2-(hexanoylamino)-2,3-bis(4-methoxyphenyl)-3-methylsulfanylpropanoic acid Traditional Name: 2-(caproylamino)-2,3-bis(4-methoxyphenyl)-3-(methylthio)propionic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C1=CC=C(C=C1)OC)(C(C2=CC=C(C=C2)OC)SC)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(C1=CC=C(C=C1)OC)(C(C2=CC=C(C=C2)OC)SC)C(=O)O

InChI

InChI=1S/C24H31NO5S/c1-5-6-7-8-21(26)25-24(23(27)28,18-11-15-20(30-3)16-12-18)22(31-4)17-9-13-19(29-2)14-10-17/h9-16,22H,5-8H2,1-4H3,(H,25,26)(H,27,28)