[(5S)-3-(5-{2-fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl 6-[(methoxycarbonyl)(methyl)amino]hexanoate
기본 정보
- 표준 SMILES
COC(=O)N(C)CCCCCC(=O)OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1- InChIKey
IKBNULDTOMYYKM-GOTSBHOMSA-N- 분자식
- C30H34FN7O7
- 평균 분자량
- 623.6 g/mol
- 단동위원소 질량
- 623.25037461
이름 및 식별자
- 우선 이름
- [(5S)-3-(5-{2-fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl 6-[(methoxycarbonyl)(methyl)amino]hexanoate
- IUPAC
- [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 6-[methoxycarbonyl(methyl)amino]hexanoate
이름 및 동의어
SCHEMBL4703358IKBNULDTOMYYKM-GOTSBHOMSA-N[(5S)-3-(5-{2-fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl 6-[(methoxycarbonyl)(methyl)amino]hexanoate
데이터베이스 식별자
- PubChem CID
- 58758463
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
1건
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