2-[[(5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylazanium chloride
기본 정보
- CAS
442847-69-0- 표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCC[NH3+])C[C@H]12.[Cl-]- InChIKey
BCBCYQNULZNYOZ-BJUUEFAVSA-N- 분자식
- C18H22ClN3O6S
- 평균 분자량
- 443.9 g/mol
- 단동위원소 질량
- 443.0917843
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 2-[[(5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylazanium chloride
- IUPAC
- 2-[[(5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]ethylazanium chloride
- 영어명
- (5R,6S)-4-Nitrobenzyl-3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-7-one-2-carboxylate hydrochloride
- 분자식
- C18H21ClN3O6S-
- 분자량
- 442.89
이름 및 동의어
3) PROTECTED THIENCIN HYDROCHLORIDE(5R,6S)-4-Nitrobenzyl-3-[(2-aminoethyl)thio]-6-[(1R)-1-hydro...(5R,6S)-4-Nitrobenzyl 3-((2-aminoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]h(5R,6S)-4-Nitrobenzyl 3-((2-aminoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept5R,6S) p-nitrobenzyl-3-[(2-aMinoethyl)thio]-6-[(1R)-1-hydroxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-7-(5R,6S)-4-Nitrobenzyl-3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-7-one-2-carboxylate h3-(2-aminoethylthio)-6-(1-hydroxyethyl)-4-[(4-nitrophenyl)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride(5R,6S)-4-Nitrobenzyl 3-((2-aminoethyl)thio)-6-((R)-1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride(5r,6s) P-Nitrobenzyl-3-[(2-Aminoethyl)Thio]-6-[(1r)-1-Hydroxyethyl]-1-Azabicyclo[3,2,0]Hept-2-Ene-7-One-2-Carboxylate Hydrochloride(5R,6S)-4-Nitrobenzyl-3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-7-one-2-carboxylate hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 671
물리화학적 성질
- 저장 조건
- Sealed in dry,Room Temperature
관련 반응
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