Methyl 2-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-1,2,3,4tetrahydroisoquinoline-3-carboxylate

HCID 10158832

기본 정보

표준 SMILES
COC(=O)C1Cc2ccccc2CN1C(=O)[C@H](C)NC(=O)Cc1cc(F)cc(F)c1
InChIKey
YIGNTOAHNYHWBK-YTJLLHSVSA-N
분자식
C22H22F2N2O4
평균 분자량
416.4 g/mol

이름 및 식별자

우선 이름
Methyl 2-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-1,2,3,4tetrahydroisoquinoline-3-carboxylate
IUPAC
methyl 2-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

이름 및 동의어

SCHEMBL5967019YIGNTOAHNYHWBK-YTJLLHSVSA-NMethyl 2-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylateMethyl 2-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-1,2,3,4tetrahydroisoquinoline-3-carboxylateMethyl 2-[N-(3,5-Difluorophenylacetyl)-L-alaninyl]-1,2,3,4tetrahydroisoquinoline-3carboxylate

데이터베이스 식별자

PubChem CID
10158832

물성

구조 계산 물성

XLogP
2.7
극성 표면적
75.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
30

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