4-Nitrobenzyl 2-((1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-6-YL)-3-methylbut-2-enoate
기본 정보
- CAS
192049-49-3- 표준 SMILES
CC(C)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2N=C(Cc3ccccc3)S[C@H]21- InChIKey
IKUFRGFORUKHMI-DENIHFKCSA-N- 분자식
- C23H21N3O5S
- 평균 분자량
- 451.5 g/mol
- 단동위원소 질량
- 451.12019195
이름 및 식별자
- 우선 이름
- 4-Nitrobenzyl 2-((1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-6-YL)-3-methylbut-2-enoate
- IUPAC
- (4-nitrophenyl)methyl 2-[(1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methylbut-2-enoate
- 영어명
- 4-Thia-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, a-(1-methylethylidene)-7-oxo-3-(phenylmethyl)-, (4-nitrophenyl)methyl ester, (1R,5R)-
- 분자식
- C23H21N3O5S
- 분자량
- 451.49
이름 및 동의어
192049-49-34-NITROBENZYL 2-((1R,5R)-3-BENZYL-7-OXO-4-THIA-2,6-DIAZABICYCLO[3.2.0]HEPT-2-EN-6-YL)-3-METHYLBUT-2-ENOATE(4-NITROPHENYL)METHYL 2-[(1R,5R)-3-BENZYL-7-OXO-4-THIA-2,6-DIAZABICYCLO[3.2.0]HEPT-2-EN-6-YL]-3-METHYLBUT-2-ENOATE4-Thia-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, alpha-(1-methylethylidene)-7-oxo-3-(phenylmethyl)-, (4-nitrophenyl)methyl ester, (1R,5R)-DTXSID40940850AKOS016004918DB-253225(4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-2-enoate4-Nitrobenzyl 2-((1r,5r)-3-benzyl-7-oxo-4-thia-2,6-diaza bicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-2-enoateIKUFRGFORUKHMI-DENIHFKCSA-N4-Nitrobenzyl 2-((1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diazabicyclo-[3.2.0]hept-2-en-6-yl)-3-methylbu5-Methyl-2-nitrophenyl 2-{3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-1-yl}-3-Methylbut-2-enoate
이름 더 보기
72. 4-nitrobenzyl 2-((1R,5R)-3-benzyl-7-oxo-4-thia-2,6-diaza bicyclo[3.2.0]hept-2-en-6-yl)-3-methyl -but-2-enoate4-Thia-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, α-(1-methylethylidene)-7-oxo-3-(phenylmethyl)-, (4-nitrophenyl)methyl ester, (1R,5R)-
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 818
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