기본 정보
- 표준 SMILES
CC(=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21)N1CCOCC1- InChIKey
LZHVQHUFGCZXST-UHFFFAOYSA-N- 분자식
- C26H26N4O7S
- 평균 분자량
- 538.6 g/mol
- 단동위원소 질량
- 538.15222035
이름 및 식별자
- 우선 이름
- p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetate
- IUPAC
- (4-nitrophenyl)methyl 3-morpholin-4-yl-2-[7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoate
이름 및 동의어
p-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-Nitrobenzyl alpha-(3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)acetateSCHEMBL11051878LZHVQHUFGCZXST-UHFFFAOYSA-Np-Nitrobenzyl alpha-(3phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo(3,2,0)hept-2-en-6-yl)-alpha-(1-morpholinoethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]-hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-morpholinoethylidene)-acetate
데이터베이스 식별자
- PubChem CID
- 54060416
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 963
관련 반응
22건
연결된 노트
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