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1246816-41-0 molecular structure
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benzyl (2S,3R)-3-{[(benzyloxy)carbonyl]oxy}-2-[3-(7-bromo-6-chloro-4-oxo-3,4-dihydroquinazolin-3-yl)-2-oxopropyl]piperidine-1-carboxylate

ChemBase ID: 162179
Molecular Formular: C32H29BrClN3O7
Molecular Mass: 682.94556
Monoisotopic Mass: 681.08773996
SMILES and InChIs

SMILES:
Brc1c(cc2c(c1)ncn(c2=O)CC(=O)C[C@@H]1N(CCC[C@H]1OC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Cl
Canonical SMILES:
O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)C[C@H]1[C@@H](CCCN1C(=O)OCc1ccccc1)OC(=O)OCc1ccccc1
InChI:
InChI=1S/C32H29BrClN3O7/c33-25-16-27-24(15-26(25)34)30(39)36(20-35-27)17-23(38)14-28-29(44-32(41)43-19-22-10-5-2-6-11-22)12-7-13-37(28)31(40)42-18-21-8-3-1-4-9-21/h1-6,8-11,15-16,20,28-29H,7,12-14,17-19H2/t28-,29+/m0/s1
InChIKey:
CFWMRNBQVYXLTK-URLMMPGGSA-N

Cite this record

CBID:162179 http://www.chembase.cn/molecule-162179.html

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