CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(NS(C)(=O)=O)c(=O)n32)cc1

名称: intermediate 16a

IUPAC: tert-butyl N-[4-[[[(6S)-3-(methanesulfonamido)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate

SMILES: CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(NS(C)(=O)=O)c(=O)n32)cc1

Canonical SMILES: CC(C)(C)OC(=O)NC(=N)C1=CC=C(C=C1)CNC(=O)C2CCC3=NC=C(C(=O)N23)NS(=O)(=O)C

分子式: C22H28N6O6S

分子量: 504.60

InChIKey: LKSYYWBNPIHYLB-INIZCTEOSA-N

InChI:

InChI=1S/C22H28N6O6S/c1-22(2,3)34-21(31)26-18(23)14-7-5-13(6-8-14)11-25-19(29)16-9-10-17-24-12-15(20(30)28(16)17)27-35(4,32)33/h5-8,12,16,27H,9-11H2,1-4H3,(H,25,29)(H2,23,26,31)/t16-/m0/s1

PubChem CID: 145857232 →

同義語

SCHEMBL5902605

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