厄他培南侧链

CAS号
202467-69-4 ;219909-83-8
CCD编号
CCD00738139
分子式
C20 H19 N3 O7 S
分子量
445.45

基本信息

产品名称: 厄他培南侧链
CAS: 202467-69-4 ;219909-83-8
中文同义词: 厄他培南侧链
英文同义词: 1-PYRROLIDINECARBOXYLIC ACID, 2-[[(3-CARBOXYPHENYL)AMINO]CARBONYL]-4-MERCAPTO-, 1-[(4-NITROPHENYL)METHYL] ESTER, (2S,4S)- ; 2-(((3-CARBOXYPHENYL)AMINO)CARBONYL)-4-MERCAPTO-1-PYRROLIDINECARBOXYLIC ACID (2S-CIS)-1-((4-NITROPHENYL)METHYL) ESTER ; SIDE CHAIN FOR ERTAPENEM ; 3-[[[(2S,4S)-4-MERCAPTO-1-(4-NITROBENZYLOXY)CARBONYL-2-PYRROLIDINYL]CARBONYL]AMINO]BENZOIC ACID ; ERTAPENEM SIDE CHAIN ; 4-NITROBENZYL-(2S,4S)-2-[[(3-CARBOXYPHENYL)AMINO]CARBONYL]-4-MERCAPTO-1-PYRROLIDINECARBOXYLATE ; (2S, 4S)-2-[[(3-CARBOXYPHENYL)AMINO]CARBONYL]-4-MERCAPTO-1-(4-NITROBENZYL)PYRROLIDINECARBOXYLATE
MDL号: MFCD09263754
氢键受体数量: 10
氢键供体数量: 2
Smile: c1cc(cc(c1)NC(=O)[C@@H]2C[C@@H](CN2C(=O)OCc3ccc(cc3)[N+](=O)[O-])S)C(=O)O
InChi: InChI=1S/C20H19N3O7S/c24-18(21-14-3-1-2-13(8-14)19(25)26)17-9-16(31)10-22(17)20(27)30-11-12-4-6-15(7-5-12)23(28)29/h1-8,16-17,31H,9-11H2,(H,21,24)(H,25,26)/t16-,17-/m0/s1
InChiKey: InChIKey=RTQKWWOSWDCUMA-IRXDYDNUSA-N

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