2-azanyl-3-[2-[2-[(4-chlorophenyl)carbonylamino]phenoxy]-2-methyl-propanoyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[2-[(4-chlorophenyl)carbonylamino]phenoxy]-2-methyl-propanoyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[2-[(4-chlorobenzoyl)amino]phenoxy]-2-methyl-propanoyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[2-[[(4-chlorophenyl)-oxomethyl]amino]phenoxy]-2-methyl-1-oxopropyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[2-[(4-chlorobenzoyl)amino]phenoxy]-2-methylpropanoyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[2-[(4-chlorobenzoyl)amino]phenoxy]-2-methyl-propanoyl]thio]propionic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)SCC(C(=O)O)N)OC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)SCC(C(=O)O)N)OC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-20(2,19(27)29-11-14(22)18(25)26)28-16-6-4-3-5-15(16)23-17(24)12-7-9-13(21)10-8-12/h3-10,14H,11,22H2,1-2H3,(H,23,24)(H,25,26)