(2S)-2-[[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(4-oxo-2-thioxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(4-keto-2-thioxo-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C24H22N4O6S MolecularWeight: 494.51968

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=S)NC2=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=S)NC2=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H22N4O6S/c1-2-11-28(13-14-3-8-18-17(12-14)22(32)27-24(35)26-18)16-6-4-15(5-7-16)21(31)25-19(23(33)34)9-10-20(29)30/h1,3-8,12,19H,9-11,13H2,(H,25,31)(H,29,30)(H,33,34)(H2,26,27,32,35)/t19-/m0/s1