2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-[2-(1,3-thiazol-2-yl)ethanoylamino]phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-[2-(1,3-thiazol-2-yl)ethanoylamino]phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[4-[[1-oxo-2-(2-thiazolyl)ethyl]amino]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-[[2-(1,3-thiazol-2-yl)acetyl]amino]benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(2-thiazol-2-ylacetyl)amino]benzoyl]butyric acid Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NC(=O)CC2=NC=CS2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H23N3O4S2/c1-31-11-9-23(24,22(29)30)21(28)17-8-7-16(13-18(17)15-5-3-2-4-6-15)26-19(27)14-20-25-10-12-32-20/h2-8,10,12-13H,9,11,14,24H2,1H3,(H,26,27)(H,29,30)