기본 정보
- CAS
214139-29-4- 표준 SMILES
O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O- InChIKey
LYHLPPXMBKMSSZ-JQFCFGFHSA-N- 분자식
- C38H38F2N2O8
- 평균 분자량
- 688.7 g/mol
- 단동위원소 질량
- 688.2596225
이름 및 식별자
- 우선 이름
- N,N-[2,5-O-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]
- IUPAC
- (2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide
이름 및 동의어
INHIBITOR BEA403N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]N,N-(2,5-O-di-2-fluoro-benzyl-glucaryl)-di-(1-amino-indan-2-ol)RefChem:8221061ec0BDBM359(2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamideSCHEMBL59678511-Valine Methylamide deriv. 12DTXSID001111979DB02629214139-29-4
이름 더 보기
PD059904NS00071694Q27458362(2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)(2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxyindan-1-yl]hexanediamide(2R,3R,4R,5R)-2,5-Bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N~1~,N~6~-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamideN1, N6-Bis[(1S,2R)-hydroxy-1-(S)indanyl]-(2R,3R,4R,5R)-2,5-bis-(2-fluorobenzyloxy)-3,4-dihydroxyhexanediamideN1,N6-Bis-[(2R)-hydroxy-1(S)-indanyl]-(2R,3R,4R,5R)-2.5-bis-(2-fluorobenzyloxy)-3,4-dihydroxyhexanediamide
데이터베이스 식별자
- CAS
214139-29-4- PubChem CID
- 445306
- DTXSID
DTXSID001111979- Nikkaji
- J1.642.493E
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,040
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
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