기본 정보
- CAS
57562-02-4- 표준 SMILES
COC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)COc3ccccc3)[C@H]2S(=O)C1- InChIKey
QQAYRTHPIWQKCZ-HNZQATFASA-N- 분자식
- C29H26N2O7S
- 평균 분자량
- 546.6 g/mol
- 단동위원소 질량
- 546.14607235
이름 및 식별자
- 우선 이름
- Diphenylmethyl (5R-(5alpha,6alpha,7beta))-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 5-oxide
- IUPAC
- benzhydryl (6R)-3-methoxy-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- diphenylmethyl [5R-(5alpha,6alpha,7beta)]-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide
- 분자식
- C29H26N2O7S
- 분자량
- 546.59
이름 및 동의어
57562-02-4EINECS 260-809-1EINECS 260-810-7Diphenylmethyl (5R-(5alpha,6alpha,7beta))-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 5-oxideDTXSID3097313757562-03-5Diphenylmethyl (5S-(5alpha,6beta,7alpha))-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate 5-oxideN-{(6R)-2-[(Diphenylmethoxy)carbonyl]-3-methoxy-5,8-dioxo-5lambda~4~-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}(phenoxy)ethanimidic acidN-{2-[(Diphenylmethoxy)carbonyl]-3-methoxy-5,8-dioxo-5lambda~4~-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenoxyethanimidic aciddiphenylmethyl [5R-(5alpha,6alpha,7beta)]-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 5-oxide, [5R-(5α,6α,7β)]- (9CI)
데이터베이스 식별자
- CAS
57562-02-4、57562-03-5
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 949
관련 반응
0건
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