(2-((((1R)-1-(((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)methylcarbamoyl)-2-(2-naphthyl)ethyl)-methylcarbamoyl)methoxy)-1,1-dimethylethyl)carbamic Acid Tert-Butyl Ester

HCID 54137203

기본 정보

표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1F)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)COCC(C)(C)NC(=O)OC(C)(C)C
InChIKey
NYOJKKQEXQFPMJ-LOYHVIPDSA-N
분자식
C36H47FN4O6
평균 분자량
650.8 g/mol
단동위원소 질량
650.34796339

이름 및 식별자

우선 이름
(2-((((1R)-1-(((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)methylcarbamoyl)-2-(2-naphthyl)ethyl)-methylcarbamoyl)methoxy)-1,1-dimethylethyl)carbamic Acid Tert-Butyl Ester
IUPAC
tert-butyl N-[1-[2-[[(2R)-1-[[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-oxoethoxy]-2-methylpropan-2-yl]carbamate

이름 및 동의어

SCHEMBL6317996NYOJKKQEXQFPMJ-LOYHVIPDSA-N(2-((((1R)-1-(((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)methylcarbamoyl)-2-(2-naphthyl)ethyl)-methylcarbamoyl)methoxy)-1,1-dimethylethyl)carbamic Acid Tert-Butyl Ester(2-((((1R)-1-(((1R)-2-(2-fluorophenyl)-1-methylcarbamoyl-ethyl)-methylcarbamoyl)-2-(2-naphthyl)ethyl)methyl-carbamoyl)methoxy)-1,1-dimethylethyl)carbamic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
54137203

물성

구조 계산 물성

XLogP
5.1
극성 표면적
117 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
15
무거운 원자 수
47

관련 반응

4건

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