1-(2-Methoxybenzoyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthio-imidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate (HCID 23387866)

기본 정보

표준 SMILES: COc1ccccc1C(=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: UASRDZPKAZLSPP-IKBUTHQGSA-N
분자식: C26H27N3O7S2
평균 분자량: 557.6 g/mol
단동위원소 질량: 557.12904256

이름 및 식별자

우선 이름: 1-(2-Methoxybenzoyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthio-imidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate
IUPAC: 1-(2-methoxybenzoyl)oxyethyl (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

UASRDZPKAZLSPP-IKBUTHQGSA-N1-(2-methoxybenzoyloxy)ethyl (1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthio-imidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate1-(2-methoxybenzoyloxy)ethyl(1s,5r,6s)-6-((1r)-1-hydroxyethyl)-1-methyl-2-(7-methylthio-imidazo[5,1-b]thiazol-2-yl)-1-carbapen-2-em-3-carboxylate

데이터베이스 식별자

PubChem CID: 23387866

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 173 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 10
무거운 원자 수: 38
형식 전하: 0
복잡도: 996

화합물 노트

불러오는 중…