1-(1,1-Dimethyl-1-butyloxycarbonyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate (HCID 23387834)

기본 정보

표준 SMILES: CCCC(C)(C)OC(=O)OC(C)OC(=O)C1=C(c2cn3cnc(SC)c3s2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12
InChIKey: MMLWQBPQRZWINF-FVQKVFADSA-N
분자식: C25H33N3O7S2
평균 분자량: 551.7 g/mol
단동위원소 질량: 551.17599275

이름 및 식별자

우선 이름: 1-(1,1-Dimethyl-1-butyloxycarbonyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate
IUPAC: 1-(2-methylpentan-2-yloxycarbonyloxy)ethyl (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-(7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

이름 및 동의어

MMLWQBPQRZWINF-FVQKVFADSA-N1-(1,1-dimethyl-1-butyloxycarbonyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate1-(1,1-dimethyl-1-butyloxycarbonyloxy)ethyl(1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthioimidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate

데이터베이스 식별자

PubChem CID: 23387834

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 173 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 12
무거운 원자 수: 37
형식 전하: 0
복잡도: 961

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