2-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H31N3O4S/c1-17-9-8-14-23(18(17)2)30-25(32)20-12-6-7-13-21(20)29-27(30)35-16-24(31)28-22(26(33)34)15-19-10-4-3-5-11-19/h3-7,10-13,17-18,22-23H,8-9,14-16H2,1-2H3,(H,28,31)(H,33,34)