5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-
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기본 정보
- CAS
92114-75-5- 표준 SMILES
Cc1nnc(SCC2=C(C(=O)OCc3oc(=O)oc3C)N3C(=O)[C@@H](NC(=O)[C@H](O)c4ccccc4)[C@H]3SC2)s1- InChIKey
QTLFMAVNMOHIKJ-HGHGUNKESA-N- 분자식
- C24H22N4O8S3
- 평균 분자량
- 590.7 g/mol
- 단동위원소 질량
- 590.05997719
이름 및 식별자
- 우선 이름
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-
- IUPAC
- (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 영어명
- 7-[(Hydroxyphenylacetyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl) ester
- 분자량
- 0
이름 및 동의어
DTXSID8010983595-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-hydroxyphenylacetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R,7R)-92114-75-5KY-1067-[(Hydroxyphenylacetyl)amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl) ester
데이터베이스 식별자
- CAS
92114-75-5- PubChem CID
- 9829953
- DTXSID
DTXSID801098359
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 236 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
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