(6R,7R)-Benzhydryl 7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((trityloxy)imino)acetamido)-3-((E)-((R)-1'-(tert-butoxycarbonyl)-2-oxo-[1,3'-bipyrrolidin]-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
기본 정보
- CAS
376653-41-7- 표준 SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)OC(c4ccccc4)c4ccccc4)N4C(=O)[C@@H](NC(=O)/C(=N\OC(c5ccccc5)(c5ccccc5)c5ccccc5)c5nsc(N)n5)[C@H]4SC3)C2=O)C1- InChIKey
XMVMCZTYBZOOCD-VLKVLDCISA-N- 분자식
- C57H54N8O8S2
- 평균 분자량
- 1,043.2 g/mol
- 단동위원소 질량
- 1,042.35060306
개요
See other relationships...
이름 및 식별자
- 우선 이름
- (6R,7R)-Benzhydryl 7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((trityloxy)imino)acetamido)-3-((E)-((R)-1'-(tert-butoxycarbonyl)-2-oxo-[1,3'-bipyrrolidin]-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- IUPAC
- benzhydryl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
이름 및 동의어
376653-41-7(6R,7R)-Benzhydryl 7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((trityloxy)imino)acetamido)-3-((E)-((R)-1'-(tert-butoxycarbonyl)-2-oxo-[1,3'-bipyrrolidin]-3-ylidene)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL1948314DTXSID801045079Diphenylmethyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(triphenylmethoxy)imino]acetyl]amino]-3-[(E)-[(3a(2)R)-1a(2)-[(1,1-dimethylethoxy)carbonyl]-2-oxo[1,3a(2)-bipyrrolidin]-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
데이터베이스 식별자
- CAS
376653-41-7- PubChem CID
- 44256413
- DTXSID
DTXSID801045079
물성
구조 계산 물성
- XLogP
- 9.1
- 극성 표면적
- 252 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,110
관련 반응
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