9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
기본 정보
- 표준 SMILES
Cl.Cl.N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(C(=O)NC5CCN(c6ccccn6)CC5)CC4)nc32)[C@H](O)[C@@H]1O- InChIKey
UEANMPUTOYRMJH-UCDPIHHQSA-N- 분자식
- C44H57Cl2N13O5
- 평균 분자량
- 918.9 g/mol
이름 및 식별자
- 우선 이름
- 9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
- IUPAC
- 9-[(1R,2S,3R,4S)-4-amino-2,3-dihydroxycyclopentyl]-6-(2,2-diphenylethylamino)-N-[2-[[1-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]piperidin-4-yl]carbamoylamino]ethyl]purine-2-carboxamide;dihydrochloride
이름 및 동의어
SCHEMBL242640UEANMPUTOYRMJH-UCDPIHHQSA-N9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydro chloride9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
데이터베이스 식별자
- PubChem CID
- 86647557
물성
구조 계산 물성
- 극성 표면적
- 241 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,420
관련 반응
2건
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