n,n-Di(butan-1-yl)aminocarbonyloxymethyl (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
기본 정보
- 표준 SMILES
CCCCN(CCCC)C(=O)OCOC(=O)C1=C(S/C=C\c2scnc2CO)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12- InChIKey
XWPKAJMFWCDNCK-WHPMYACHSA-N- 분자식
- C26H37N3O7S2
- 평균 분자량
- 567.7 g/mol
- 단동위원소 질량
- 567.20729287
이름 및 식별자
- 우선 이름
- n,n-Di(butan-1-yl)aminocarbonyloxymethyl (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
- dibutylcarbamoyloxymethyl (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
SCHEMBL5504630XWPKAJMFWCDNCK-WHPMYACHSA-Nn,n-di(butan-1-yl)aminocarbonyloxymethyl (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-carboxylaten,n-di(butan-1-yl)aminocarbonyloxymethyl(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
- 69467117
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 907
관련 반응
2건
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