2-[[3-(2-nonylsulfanylethylcarbamoylamino)phenyl]amino]-3-oxidanyl-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(2-nonylsulfanylethylcarbamoylamino)phenyl]amino]-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: 3-hydroxy-2-[3-(2-nonylsulfanylethylcarbamoylamino)anilino]-3-phenyl-propanoic acid CAS Name: 3-hydroxy-2-[3-[[[2-(nonylthio)ethylamino]-oxomethyl]amino]anilino]-3-phenylpropanoic acid IUPAC Name: 3-hydroxy-2-[3-(2-nonylsulfanylethylcarbamoylamino)anilino]-3-phenylpropanoic acid Traditional Name: 3-hydroxy-2-[3-[2-(nonylthio)ethylcarbamoylamino]anilino]-3-phenyl-propionic acid Formula: C27H39N3O4S MolecularWeight: 501.68126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSCCNC(=O)NC1=CC(=CC=C1)NC(C(C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CCCCCCCCCSCCNC(=O)NC1=CC(=CC=C1)NC(C(C2=CC=CC=C2)O)C(=O)O

InChI

InChI=1S/C27H39N3O4S/c1-2-3-4-5-6-7-11-18-35-19-17-28-27(34)30-23-16-12-15-22(20-23)29-24(26(32)33)25(31)21-13-9-8-10-14-21/h8-10,12-16,20,24-25,29,31H,2-7,11,17-19H2,1H3,(H,32,33)(H2,28,30,34)