기본 정보
- CAS
72615-19-1- 표준 SMILES
CC(=O)NCCSC1=C(C(=O)O)N2C(=O)[C@H](C(C)C)[C@H]2C1- InChIKey
SUMQHCXEWHRKGG-MWLCHTKSSA-N- 분자식
- C14H20N2O4S
- 평균 분자량
- 312.39 g/mol
- 단동위원소 질량
- 312.1143783
개요
PS-6 is a member of carbapenems.
이름 및 식별자
- 우선 이름
- (5R,6R)-3-((2-(Acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid
- IUPAC
- (5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- 현지명
- 항생제PS6
- 영어명
- antibiotic PS 6
- 분자식
- C14H20N2O4S
- 분자량
- 0
이름 및 동의어
Antibiotic PS 672615-19-1Antibiotic PS-6DTXSID60222943(5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-, (5R-cis)-5R,6R-3-(2-acetamido)ethylthio-6-isopropyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid(5R,6R)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidRefChem:906203DTXCID90145434(5R,6R)-3-((2-(Acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidPS-6
이름 더 보기
항생제PS6(5R,6R)-3-[2-(Acetylamino)ethylthio]-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid(5R,6R)-3-[2-(Acetylamino)ethylthio]-6-(1-methylethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Antibiotic PS6SCHEMBL29365365CHEBI:81038(5R,6R)-3-[(2-acetamidoethyl)sulfanyl]-7-oxo-6-(propan-2-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethenyl)thio)-6-(1-methylethyl)-7-oxo-, (5R-cis)-C17371Q27154997
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 515
관련 반응
0건
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