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

Systemtic Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3S)-2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]-3-phenyl-propionate Formula: C23H24N3O4- MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25N3O4/c1-3-15(2)20(26-14-24-18-12-8-7-11-17(18)22(26)28)21(27)25-19(23(29)30)13-16-9-5-4-6-10-16/h4-12,14-15,19-20H,3,13H2,1-2H3,(H,25,27)(H,29,30)/p-1/t15-,19-,20-/m0/s1