2-ethyl-2-[ethyl-[4-[(2-methylsulfanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid

Systemtic Name: 2-ethyl-2-[ethyl-[4-[(2-methylsulfanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonyl-amino]pentanedioic acid Openeye Name: 2-ethyl-2-[ethyl-[4-[(2-methylsulfanyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-ethyl-2-[ethyl-[[4-[[2-(methylthio)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-ethyl-2-[ethyl-[4-[(2-methylsulfanyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-ethyl-2-[ethyl-[4-[[4-keto-2-(methylthio)-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C29H32N4O6S MolecularWeight: 564.65258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)SC

Isomeric SMILES

CCC(CCC(=O)O)(C(=O)O)N(CC)C(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)SC

InChI

InChI=1S/C29H32N4O6S/c1-5-16-32(18-19-8-13-23-22(17-19)25(36)31-28(30-23)40-4)21-11-9-20(10-12-21)26(37)33(7-3)29(6-2,27(38)39)15-14-24(34)35/h1,8-13,17H,6-7,14-16,18H2,2-4H3,(H,34,35)(H,38,39)(H,30,31,36)