(R)-Benzhydryl 3-methyl-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)but-3-enoate
기본 정보
- CAS
67977-61-1- 표준 SMILES
C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)[C@@H]2N=C(c3ccccc3)O[C@@H]21- InChIKey
IGDWUWXIYTUDBF-OBTVHEKISA-N- 분자식
- C28H24N2O4
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.17360725
이름 및 식별자
- 우선 이름
- (R)-Benzhydryl 3-methyl-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)but-3-enoate
- IUPAC
- benzhydryl (2R)-3-methyl-2-[(1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate
- 영어명
- Diphenylmethyl (2R)-3-methyl-2-[(1R,5S)-3-phenyl-7-oxo-4-oxa-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-3-butenoate
- 분자식
- C28H24N2O4
- 분자량
- 452.5
이름 및 동의어
(R)-Benzhydryl 3-methyl-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)but-3-enoate67977-61-1IGDWUWXIYTUDBF-OBTVHEKISA-Nbenzhydryl (R)-3-methyl-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)but-3-enoatediphenylmethyl (2R)-3-methyl-2-((1R,5S)-3-phenyl-7-oxo-4-oxa-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl)-3-butenoateDIPHENYLMETHYL (2R)-3-METHYL-2-[(1R,5S)-7-OXO-3-PHENYL-4-OXA-2,6-DIAZABICYCLO[3.2.0]HEPT-2-EN-6-YL]BUT-3-ENOATE(R)-Benzhydryl3-methyl-2-((1R,5S)-7-oxo-3-phenyl-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)but-3-enoateDiphenylmethyl (2R)-3-methyl-2-[(1R,5S)-3-phenyl-7-oxo-4-oxa-2,6-diazabicyclo[3,2Diphenylmethyl (2R)-3-methyl-2-[(1R,5S)-3-phenyl-7-oxo-4-oxa-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-3-butenoate4-Oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, α-(1-methylethenyl)-7-oxo-3-phenyl-, diphenylmethyl ester, (αR,1R,5S)-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-ene-6-acetic acid, α-(1-Methylethenyl)-7-oxo-3-phenyl-, diphenylMethyl ester, [1R-[1α,5α,6(R*)]]- (9CI)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 68.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 787
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