(2R)-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-phenyl-propionate Formula: C26H22N3O4S- MolecularWeight: 472.53558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c30-23(27-22(25(32)33)15-18-9-3-1-4-10-18)17-34-26-28-21-14-8-7-13-20(21)24(31)29(26)16-19-11-5-2-6-12-19/h1-14,22H,15-17H2,(H,27,30)(H,32,33)/p-1/t22-/m1/s1