기본 정보
- CAS
54639-52-0- 표준 SMILES
COC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1- InChIKey
QLVVZQVGFLLLLB-UFHPHHKVSA-N- 분자식
- C29H26N2O6S
- 평균 분자량
- 530.6 g/mol
- 단동위원소 질량
- 530.15115755
이름 및 식별자
- 우선 이름
- Diphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-3-methoxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- diphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 분자식
- C29H26N2O6S
- 분자량
- 530.59
이름 및 동의어
EINECS 259-267-954639-52-0Diphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylateSCHEMBL10840214DTXSID909699107beta-phenoxyacetamido-3-methoxy-ceph-3-em-4-carboxylic acid diphenylmethyl esterN-{(6R,7R)-2-[(Diphenylmethoxy)carbonyl]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}(phenoxy)ethanimidic acidN-{2-[(Diphenylmethoxy)carbonyl]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}-2-phenoxyethanimidic aciddiphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatediphenylmethyl (6R-trans)-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate(6R,7R)-3-Methoxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-methoxy-8-oxo-7-[(phenoxyacetyl)amino]-, diphenylmethyl ester, (6R-trans)- (9CI)
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 873
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