(2S)-2-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H23N3O4S/c1-17-9-5-8-14-22(17)29-24(31)19-12-6-7-13-20(19)28-26(29)34-16-23(30)27-21(25(32)33)15-18-10-3-2-4-11-18/h2-14,21H,15-16H2,1H3,(H,27,30)(H,32,33)/t21-/m0/s1