2-azanyl-3-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-1-naphthyl]sulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxynaphthalen-1-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[3-[3-(2,4-dimethylphenoxy)propylcarbamoyl]-4-hydroxy-1-naphthyl]thio]propionic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(C(=O)O)N)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)SCC(C(=O)O)N)O)C

InChI

InChI=1S/C25H28N2O5S/c1-15-8-9-21(16(2)12-15)32-11-5-10-27-24(29)19-13-22(33-14-20(26)25(30)31)17-6-3-4-7-18(17)23(19)28/h3-4,6-9,12-13,20,28H,5,10-11,14,26H2,1-2H3,(H,27,29)(H,30,31)