N-((1R)-1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylester

HCID 53671638

기본 정보

표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1F)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C
InChIKey
BAIAYYDLZIQHKL-CLJLJLNGSA-N
분자식
C30H36FN3O4
평균 분자량
521.6 g/mol
단동위원소 질량
521.2689848

이름 및 식별자

우선 이름
N-((1R)-1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylester
IUPAC
tert-butyl N-[(2R)-1-[[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate

이름 및 동의어

SCHEMBL6317662BAIAYYDLZIQHKL-CLJLJLNGSA-NN-((1R)-1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylesterN-((1R)-1-(N-((1R)-2-(2-fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methyl-carbamic acid tert-butylesterN-((1R)1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methyl-carbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylesterN-((1R)1-(N-((1R)-2-(2-Fluorophenyl)-1-(methylcarbamoyl)ethyl)-N-methylcarbamoyl)-2-(2-naphthyl)ethyl)-N-methylcarbamic acid tert-butylester

데이터베이스 식별자

PubChem CID
53671638

물성

구조 계산 물성

XLogP
5.3
극성 표면적
79 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
38

관련 반응

8건

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