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

Systemtic Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S,3S)-2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]glutarate Formula: C19H21N3O6-2 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6/c1-3-11(2)16(17(25)21-14(19(27)28)8-9-15(23)24)22-10-20-13-7-5-4-6-12(13)18(22)26/h4-7,10-11,14,16H,3,8-9H2,1-2H3,(H,21,25)(H,23,24)(H,27,28)/p-2/t11-,14-,16-/m0/s1