3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-(2-thiophen-2-ylethanoylsulfanyl)propanoyl]benzoic acid

Systemtic Name: 3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-(2-thiophen-2-ylethanoylsulfanyl)propanoyl]benzoic acid Openeye Name: 3-amino-4-[2-benzyl-3-[2-(2-thienyl)acetyl]sulfanyl-propanoyl]-2-methyl-benzoic acid CAS Name: 3-amino-2-methyl-4-[1-oxo-2-[[(1-oxo-2-thiophen-2-ylethyl)thio]methyl]-3-phenylpropyl]benzoic acid IUPAC Name: 3-amino-4-[2-benzyl-3-(2-thiophen-2-ylacetyl)sulfanylpropanoyl]-2-methylbenzoic acid Traditional Name: 3-amino-4-[2-benzyl-3-[[2-(2-thienyl)acetyl]thio]propanoyl]-2-methyl-benzoic acid Formula: C24H23NO4S2 MolecularWeight: 453.57372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C24H23NO4S2/c1-15-19(24(28)29)9-10-20(22(15)25)23(27)17(12-16-6-3-2-4-7-16)14-31-21(26)13-18-8-5-11-30-18/h2-11,17H,12-14,25H2,1H3,(H,28,29)