(phenylmethyl) (3R)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (3R)-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: benzyl (3R)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (3R)-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (3R)-3-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-phenyl-propionic acid benzyl ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@H](C2=CC=CC=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25N3O4/c31-25(15-16-30-19-28-23-14-8-7-13-22(23)27(30)33)29-24(21-11-5-2-6-12-21)17-26(32)34-18-20-9-3-1-4-10-20/h1-14,19,24H,15-18H2,(H,29,31)/t24-/m1/s1