기본 정보
- CAS
95415-91-1- 표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCOC(N)=O)S[C@H]12- InChIKey
LVCPLOQIOKEULU-GLDDHUGJSA-N- 분자식
- C11H14N2O6S2
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.02932852
개요
structure given in first source; RN given refers to (5R-(5alpha,6alpha))-isomer
이름 및 식별자
- 우선 이름
- Sch 34343
- IUPAC
- (5R,6S)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
이름 및 동의어
Sch 34343Sch-3434395415-91-1SCH34343WM2TR07VX3SCH-34343 FREE ACIDDTXSID60873378RefChem:181730DTXCID308208944-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((aminocarbonyl)oxy)ethyl)thio)-6-((1R)-1-hydroxyethyl)-7-oxo-, monosodium salt, (5R,6S)-SH1V2HHM4V2-Carbamoyloxyethylthio-6-(1-hydroxyethyl)penem-3-carboxylic acid
이름 더 보기
(5R,6S)-3-(2-carbamoyloxyethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((aminocarbonyl)oxy)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, monosodium salt, (5R-(5alpha,6alpha))-UNII-WM2TR07VX3CHEMBL306713SCHEMBL10396007(5R,6S)-3-((2-((AMINOCARBONYL)OXY)ETHYL)THIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID(5R,6S)-3-{[2-(Carbamoyloxy)ethyl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-((2-((AMINOCARBONYL)OXY)ETHYL)THIO)-6-((1R)-1-HYDROXYETHYL)-7-OXO-, (5R,6S)-
데이터베이스 식별자
- CAS
95415-91-1- PubChem CID
- 72445
- DTXSID
DTXSID60873378- ChEMBL
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 523
관련 반응
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