기본 정보
- 표준 SMILES
C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(OCOC(=O)OCC(=O)OCc4ccccc4)c3C(=O)N12- InChIKey
XGEAFSSVFMGFQW-GAJHUEQPSA-N- 분자식
- C30H27F2N3O10
- 평균 분자량
- 627.5 g/mol
이름 및 식별자
- 우선 이름
- Phenylmethyl ({[({[(3S,11aR)-8-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl]oxy}methyl)oxy]carbonyl}oxy)acetate
- IUPAC
- benzyl 2-[[(3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-yl]oxymethoxycarbonyloxy]acetate
이름 및 동의어
Phenylmethyl({[({[(3S,11aR)-8-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl]oxy]methyl)oxy]carbonyl]oxy)acetatePhenylmethyl({[({[(3S,11aR)-8-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl]oxy}methyl)oxy]carbonyl}oxy)acetateSCHEMBL12464520XGEAFSSVFMGFQW-GAJHUEQPSA-NPhenylmethyl ({[({[(3S,11aR)-8-({[(2,4-difluorophenyl)methyl]amino}carbonyl)-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazin-6-yl]oxy}methyl)oxy]carbonyl}oxy)acetate
데이터베이스 식별자
- PubChem CID
- 44626148
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,240
공급사
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관련 반응
3건
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