2-acetamido-3-[3-[[4-(3-ethoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[3-[[4-(3-ethoxy-2-oxidanyl-propoxy)phenyl]amino]-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[3-[4-(3-ethoxy-2-hydroxy-propoxy)anilino]-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[3-[4-(3-ethoxy-2-hydroxypropoxy)anilino]-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[3-[4-(3-ethoxy-2-hydroxy-propoxy)anilino]-3-keto-propyl]thio]propionic acid Formula: C19H28N2O7S MolecularWeight: 428.49982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COC1=CC=C(C=C1)NC(=O)CCSCC(C(=O)O)NC(=O)C)O

Isomeric SMILES

CCOCC(COC1=CC=C(C=C1)NC(=O)CCSCC(C(=O)O)NC(=O)C)O

InChI

InChI=1S/C19H28N2O7S/c1-3-27-10-15(23)11-28-16-6-4-14(5-7-16)21-18(24)8-9-29-12-17(19(25)26)20-13(2)22/h4-7,15,17,23H,3,8-12H2,1-2H3,(H,20,22)(H,21,24)(H,25,26)