1-(Cyclohexyloxycarbonyloxy)ethyl (1R, 5S, 6S)-2-(2-oxo-4-pyrrolidinylthio)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-carbapen-2-em-3-carboxylate
기본 정보
- 표준 SMILES
CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(SC2CNC(=O)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12- InChIKey
AYLMYBOTNAFXNH-USKMXTIDSA-N- 분자식
- C23H32N2O8S
- 평균 분자량
- 496.6 g/mol
- 단동위원소 질량
- 496.18793716
이름 및 식별자
- 우선 이름
- 1-(Cyclohexyloxycarbonyloxy)ethyl (1R, 5S, 6S)-2-(2-oxo-4-pyrrolidinylthio)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-carbapen-2-em-3-carboxylate
- IUPAC
- 1-cyclohexyloxycarbonyloxyethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-(5-oxopyrrolidin-3-yl)sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
이름 및 동의어
AYLMYBOTNAFXNH-USKMXTIDSA-N1-(Cyclohexyloxycarbonyloxy)ethyl (1R, 5S, 6S)-2-(2-oxo-4 -pyrrolidinylthio)-6-[(1R)-1-hydroxyethyl]-1-methyl-1-carbapen-2-em-3-carboxylate1-(Cyclohexyloxycarbonyloxy)ethyl (1R, 5S, 6S)-2-(2-oxo-4-pyrrolidinylthio)-6-[(1R)-1-hydroxyethyl]- 1-methyl-1-carbapen-2-em-3-carboxylate
데이터베이스 식별자
- PubChem CID
- 57289719
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 886
관련 반응
2건
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