N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide
기본 정보
- CAS
167826-40-6- 표준 SMILES
O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)c2ccc(F)cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)c1ccc(F)cc1- InChIKey
VMAACENPBLBGNM-WESAGZJESA-N- 분자식
- C43H50F2N4O5
- 평균 분자량
- 740.9 g/mol
- 단동위원소 질량
- 740.37492703
이름 및 식별자
- 우선 이름
- N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamide
- IUPAC
- N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-[5-[(4-fluorobenzoyl)amino]pentyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]-4-fluorobenzamide
이름 및 동의어
167826-40-6N-(5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-(5-((4-fluorophenyl)carbonylamino)pentyl)-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl)(3-fluorophenyl)carboxamideN-[5-((5S,6S,4R,7R)-4,7-Bisbenzyl-3-{5-[(4-fluorophenyl)carbonylamino]pentyl}-5,6-dihydroxy-2-oxo(1,3-diazaperhydroepinyl))pentyl](3-fluorophenyl)carboxamideDMPC Cyclic Urea 50BDBM70CHEMBL280990DTXSID80168399N,N'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]di(pentane-5,1-diyl)}bis(4-fluorobenzamide)N-[5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-[5-[(4-fluorobenzoyl)amino]pentyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl]-4-fluoro-benzamideN-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(4-fluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-4-fluorobenzamide
데이터베이스 식별자
- CAS
167826-40-6- PubChem CID
- 3009312
- DTXSID
DTXSID80168399- ChEMBL
CHEMBL280990
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,040
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