(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

HCID 178784546

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 76911-24-5
표준 SMILES: CC1(C)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1=O
InChIKey: AZIUCAWYSMPKQK-HVHNRQALSA-N
분자식: C21H21NO4S
평균 분자량: 383.5 g/mol

이름 및 식별자

우선 이름: (2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide
IUPAC: benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
영어명: (2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide
분자식: C21H21NO4S
분자량: 383.466

이름 및 동의어

87579-78-0(2S,5R)-Benzhydryl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideBenzhydryl 6,6-dihydropenicillic acid 1-oxide[Tazobactam intermediate]MFCD11044527benzhydryl (2S,5R)-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxideTazobactam Impurity 4(2S,5R)-3,3-dimethyl-7-oxo-4-oxide-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl EsterBenzhydryl 6,6-dihydropenicillic acid 1-oxideTazobactam Acid Impurity 24(2S,5R)-2beta-[(Benzhydryloxy)carbonyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane4-oxide123285-28-9

이름 더 보기

Tazobactam Impurity 49TazobactamAcidImpurity41Tazobactam Acid Impurity 23(2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide

SCHEMBL11174186DTXSID50466738EX-A1376AKOS015999672(2S,5R)-3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid diphenylmethyl ester 4-oxideDS-17758SY225976CS-0028578

데이터베이스 식별자

CAS: 76911-24-5
Nikkaji: J381.677J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 82.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 27
형식 전하: 0
복잡도: 604

화학 및 산업

공급사7 곳

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