3-[4-[(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl]-6-[[methanoyl(methyl)amino]methyl]-1-methyl-2,4-bis(oxidanylidene)quinazoline-8-carboxylic acid

Systemtic Name: 3-[4-[(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-oxidanylidene-3-propan-2-yloxy-propyl]phenyl]-6-[[methanoyl(methyl)amino]methyl]-1-methyl-2,4-bis(oxidanylidene)quinazoline-8-carboxylic acid Openeye Name: 3-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-isopropoxy-3-oxo-propyl]phenyl]-6-[[formyl(methyl)amino]methyl]-1-methyl-2,4-dioxo-quinazoline-8-carboxylic acid CAS Name: 3-[4-[(2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-oxo-3-propan-2-yloxypropyl]phenyl]-6-[[formyl(methyl)amino]methyl]-1-methyl-2,4-dioxo-8-quinazolinecarboxylic acid IUPAC Name: 3-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-oxo-3-propan-2-yloxypropyl]phenyl]-6-[[formyl(methyl)amino]methyl]-1-methyl-2,4-dioxoquinazoline-8-carboxylic acid Traditional Name: 3-[4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-isopropoxy-3-keto-propyl]phenyl]-6-[[formyl(methyl)amino]methyl]-2,4-diketo-1-methyl-quinazoline-8-carboxylic acid Formula: C32H30Cl2N4O8 MolecularWeight: 669.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC1=CC=C(C=C1)N2C(=O)C3=CC(=CC(=C3N(C2=O)C)C(=O)O)CN(C)C=O)NC(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CC(C)OC(=O)[C@H](CC1=CC=C(C=C1)N2C(=O)C3=CC(=CC(=C3N(C2=O)C)C(=O)O)CN(C)C=O)NC(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C32H30Cl2N4O8/c1-17(2)46-31(44)25(35-28(40)26-23(33)6-5-7-24(26)34)14-18-8-10-20(11-9-18)38-29(41)21-12-19(15-36(3)16-39)13-22(30(42)43)27(21)37(4)32(38)45/h5-13,16-17,25H,14-15H2,1-4H3,(H,35,40)(H,42,43)/t25-/m0/s1