(2S)-2-[[(2S)-2-[1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[1-methyl-2,4-bis(oxidanylidene)quinazolin-3-yl]-3-phenyl-propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxo-quinazolin-3-yl)-3-phenyl-propanoyl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxo-3-quinazolinyl)-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(2S)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(2,4-diketo-1-methyl-quinazolin-3-yl)-3-phenyl-propanoyl]amino]-3-hydroxy-propionic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N(C1=O)C(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C21H21N3O6/c1-23-16-10-6-5-9-14(16)19(27)24(21(23)30)17(11-13-7-3-2-4-8-13)18(26)22-15(12-25)20(28)29/h2-10,15,17,25H,11-12H2,1H3,(H,22,26)(H,28,29)/t15-,17-/m0/s1