Cyclohexyloxycarbonyloxymethyl (1r,5s,6s)-6-((1r)-1-hydroxyethyl)-2-[[(z)-2-(4-hydroxymethylthiazol-5-yl)ethen-1-yl]thio]-1-methyl-1-carbapen-2-em-3-carboxylate
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기본 정보
- 표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)OC3CCCCC3)=C(S/C=C\c3scnc3CO)[C@H](C)[C@H]12- InChIKey
IFTJAGPRNMEFDT-JHHQIYHQSA-N- 분자식
- C24H30N2O8S2
- 평균 분자량
- 538.6 g/mol
이름 및 식별자
- 우선 이름
- Cyclohexyloxycarbonyloxymethyl (1r,5s,6s)-6-((1r)-1-hydroxyethyl)-2-[[(z)-2-(4-hydroxymethylthiazol-5-yl)ethen-1-yl]thio]-1-methyl-1-carbapen-2-em-3-carboxylate
- IUPAC
- cyclohexyloxycarbonyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(Z)-2-[4-(hydroxymethyl)-1,3-thiazol-5-yl]ethenyl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
이름 및 동의어
SCHEMBL5508887IFTJAGPRNMEFDT-JHHQIYHQSA-Ncyclohexyloxycarbonyloxymethyl (1r,5s,6s)-6-((1r)-1-hydroxyethyl)-2-[[(z)-2-(4-hydroxymethylthiazol-5-yl)ethen-1-yl]thio]-1-methyl-1-carbapen-2-em-3-carboxylatecyclohexyloxycarbonyloxymethyl(1r,5s,6s)-6-((1r)-1-hydroxyethyl)-2-[[(z)-2-(4-hydroxymethylthiazol-5-yl)ethen-1-yl]thio]-1-methyl-1-carbapen-2-em-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 69469334
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 907
관련 반응
2건
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