(4S,5R,6S)-3-((1,1-Dioxido-6-(2-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl)-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)methyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate chloride
기본 정보
- CAS
225088-78-8- 표준 SMILES
CCC[N+]12CC[N+](CCc3ccc4c5c(cccc35)N(CC3=C(C(=O)[O-])N5C(=O)[C@H]([C@@H](C)O)[C@H]5[C@H]3C)S4(=O)=O)(CC1)CC2.[Cl-]- InChIKey
TZQBSQDJGFUDTB-SXFUTCHBSA-M- 분자식
- C32H41ClN4O6S
- 평균 분자량
- 645.2 g/mol
- 단동위원소 질량
- 644.2435339
이름 및 식별자
- 우선 이름
- (4S,5R,6S)-3-((1,1-Dioxido-6-(2-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl)-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)methyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate chloride
- IUPAC
- (4S,5R,6S)-3-[[2,2-dioxo-9-[2-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate chloride
이름 및 동의어
DTXSID901028781(4S,5R,6S)-3-((1,1-Dioxido-6-(2-(4-propyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethyl)-2H-naphtho[1,8-cd][1,2]thiazol-2-yl)methyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate chloride225088-78-8
데이터베이스 식별자
- CAS
225088-78-8- PubChem CID
- 44374242
- DTXSID
DTXSID901028781
물성
구조 계산 물성
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,280
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