(2S,3R)-3-methyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]pentanoate

Systemtic Name: (2S,3R)-3-methyl-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-2-phenyl-ethanoyl]amino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-2-phenyl-acetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-2-phenylethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-2-phenyl-acetyl]amino]-3-methyl-valerate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H](C1=CC=CC=C1)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4/c1-3-14(2)18(22(28)29)24-20(26)19(15-9-5-4-6-10-15)25-13-23-17-12-8-7-11-16(17)21(25)27/h4-14,18-19H,3H2,1-2H3,(H,24,26)(H,28,29)/p-1/t14-,18+,19+/m1/s1