2-[[1-(3-methylbutanoyl)-3-oxidanylidene-2-(phenylmethyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(3-methylbutanoyl)-3-oxidanylidene-2-(phenylmethyl)-2,4-dihydroquinoxalin-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzyl-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(3-methyl-1-oxobutyl)-3-oxo-2-(phenylmethyl)-2,4-dihydroquinoxalin-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-benzyl-1-(3-methylbutanoyl)-3-oxo-2,4-dihydroquinoxaline-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-benzyl-1-isovaleryl-3-keto-2,4-dihydroquinoxaline-6-carbonyl)amino]-3-phenyl-propionic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(C(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)N1C(C(=O)NC2=C1C=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5/c1-19(2)15-27(34)33-25-14-13-22(28(35)32-24(30(37)38)16-20-9-5-3-6-10-20)18-23(25)31-29(36)26(33)17-21-11-7-4-8-12-21/h3-14,18-19,24,26H,15-17H2,1-2H3,(H,31,36)(H,32,35)(H,37,38)