(2S)-2-[[(2S)-4-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]butanedioate

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2S)-4-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-4-methyl-pentanoyl]amino]succinate Formula: C18H19N3O6-2 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)[O-])C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H21N3O6/c1-10(2)7-14(16(24)20-13(18(26)27)8-15(22)23)21-9-19-12-6-4-3-5-11(12)17(21)25/h3-6,9-10,13-14H,7-8H2,1-2H3,(H,20,24)(H,22,23)(H,26,27)/p-2/t13-,14-/m0/s1