1-(2-{[6-({6-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methyl)amino]propyl}(methyl)carbamoyl]-1,3-benzothiazol-2-yl}amino)hexanoyl](methyl)amino}ethyl)piperidin-4-yl biphenyl-2-ylcarbamate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- 표준 SMILES
CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1nc2ccc(C(=O)N(C)CCCN(C)C(=O)CO[C@H]3Cc4ccccc4C34CCN(CC[C@@]3(c5ccc(F)cc5)CN(C(=O)c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CO3)CC4)cc2s1- InChIKey
YSEYZANNFSNBAP-QNILCMLYSA-N- 분자식
- C75H84F7N9O8S
- 평균 분자량
- 1,404.6 g/mol
- 단동위원소 질량
- 1,403.60517898
이름 및 식별자
- 우선 이름
- 1-(2-{[6-({6-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methyl)amino]propyl}(methyl)carbamoyl]-1,3-benzothiazol-2-yl}amino)hexanoyl](methyl)amino}ethyl)piperidin-4-yl biphenyl-2-ylcarbamate
- IUPAC
- [1-[2-[6-[[6-[3-[[2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxyacetyl]-methylamino]propyl-methylcarbamoyl]-1,3-benzothiazol-2-yl]amino]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
이름 및 동의어
SCHEMBL380649YSEYZANNFSNBAP-QNILCMLYSA-N1-(2-{[6-({6-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methyl)amino]propyl}(methyl)carbamoyl]-1,3-benzothiazol-2-yl}amino)hexanoyl](methyl)amino}ethyl)piperidin-4-yl biphenyl-2-ylcarbamate
데이터베이스 식별자
- PubChem CID
- 86761920
물성
구조 계산 물성보충 중
- XLogP
- 12.7
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 100
- 형식 전하
- 0
- 복잡도
- 2,620
관련 반응
1건
화합물 노트
불러오는 중…