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

Systemtic Name: 4-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]butanoate Openeye Name: 4-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoate CAS Name: 4-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]butanoate IUPAC Name: 4-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]butanoate Traditional Name: 4-[[(2S,3S)-2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]butyrate Formula: C18H22N3O4- MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-3-12(2)16(17(24)19-10-6-9-15(22)23)21-11-20-14-8-5-4-7-13(14)18(21)25/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3,(H,19,24)(H,22,23)/p-1/t12-,16-/m0/s1