(2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]-2-phenylacetic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoyl]amino]-2-phenyl-acetic acid Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)NC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H20N4O4S/c1-13-7-12-17-18(22(30)28-24(25)26-17)20(13)33-16-10-8-15(9-11-16)21(29)27-19(23(31)32)14-5-3-2-4-6-14/h2-12,19H,1H3,(H,27,29)(H,31,32)(H3,25,26,28,30)/t19-/m0/s1