기본 정보
- 표준 SMILES
CC(C)(C)[Si](C)(C)O[C@@H](CN(CCCCCNC(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Cc1ccccc1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12- InChIKey
IITJHYKPPTVXNZ-MPLRIKRWSA-N- 분자식
- C57H71N5O6Si
- 평균 분자량
- 950.3 g/mol
이름 및 식별자
- 우선 이름
- Biphenyl-2-ylcarbamic Acid 1-[2-(5-(Benzyl-[(R)-2-(8-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethyl]amino}-pentylcarbamoyl)ethyl]piperidin-4-yl Ester
- IUPAC
- [1-[3-[5-[benzyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]pentylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
이름 및 동의어
Biphenyl-2-ylcarbamic Acid 1-[2-(5-(Benzyl-[(R)-2-(8-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethyl]amino}-pentylcarbamoyl)ethyl]piperidin-4-yl EsterBiphenyl-2-ylcarbamic Acid 1-[2-(5-{Benzyl-[(R)-2-(8-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethyl]amino}-pentylcarbamoyl)ethyl]piperidin-4-yl EsterSCHEMBL1257275IITJHYKPPTVXNZ-MPLRIKRWSA-NBiphenyl-2-ylcarbamic Acid 1-[2-(5-{Benzyl-[(R)-2-(8-benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-(tert-butyldimethylsilanyloxy)ethyl]amino }-pentylcarbamoyl)ethyl]piperidin-4-yl Ester
데이터베이스 식별자
- PubChem CID
- 86608368
물성
구조 계산 물성
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,580
관련 반응
11건
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