3-(1H-indol-3-yl)-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]propionic acid Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C24H24N4O4S/c1-33-11-10-21(28-14-26-19-9-5-3-7-17(19)23(28)30)22(29)27-20(24(31)32)12-15-13-25-18-8-4-2-6-16(15)18/h2-9,13-14,20-21,25H,10-12H2,1H3,(H,27,29)(H,31,32)