methyl (2S)-2-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-34-25(33)22(14-18-8-3-2-4-9-18)28-23(31)17-35-26-29-21-12-6-5-11-20(21)24(32)30(26)16-19-10-7-13-27-15-19/h2-13,15,22H,14,16-17H2,1H3,(H,28,31)/t22-/m0/s1