기본 정보
- CAS
167486-23-9- 표준 SMILES
CC(C)[C@H](COCc1cccnc1)NC(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
JUZBHZAPSATRCS-KVBYWJEESA-N- 분자식
- C41H53F2N5O8
- 평균 분자량
- 781.9 g/mol
- 단동위원소 질량
- 781.38621999
이름 및 식별자
- 우선 이름
- benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
MDL 74695MDL 74,695167486-23-92-Oxa-5,10,13-triazatetradecan-14-oic acid, 7,7-difluoro-4,12-bis(1-methylethyl)-9-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-6,8,11-trioxo-1-(3-pyridinyl)-, phenylmethyl ester, (4R-(4R*,9S*,12S*))-2-Oxa-5,10,13-triazatetradecan-14-oic acid, 7,7-difluoro-4,12-bis(1-methylethyl)-9-[[4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-6,8,11-trioxo-1-(3-pyridinyl)-, phenylmethyl ester, [4R-(4R*,9S*,12S*)]-benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-5-[[(2R)-3-methyl-1-(pyridin-3-ylmethoxy)butan-2-yl]amino]-1-[4-(2-morpholin-4-ylethoxy)phenyl]-3,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamateDTXSID00168295JUZBHZAPSATRCS-KVBYWJEESA-NBenzyl [(2S)-1-{[(2S)-4,4-difluoro-5-({(2R)-3-methyl-1-[(pyridin-3-yl)methoxy]butan-2-yl}amino)-1-{4-[2-(morpholin-4-yl)ethoxy]phenyl}-3,5-dioxopentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl n-[(1s)-1-[[(1s)-3,3-difluoro-4-[[(1r)-2-methyl-1-(3-pyridylmethoxymethyl)propyl]amino]-1-[[4-(2-morpholinoethoxy)phenyl]methyl]-2,4-dioxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,210
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