methyl(1S,2R)-[1-benzyl-3-[(3S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamate

HCID 86750132

기본 정보

표준 SMILES
COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NOC(C)(C)C
InChIKey
VUKDWNGELRZGOE-MFKCLSPESA-N
분자식
C26H41N3O5
평균 분자량
475.6 g/mol

이름 및 식별자

우선 이름
methyl(1S,2R)-[1-benzyl-3-[(3S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamate
IUPAC
methyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-[(2-methylpropan-2-yl)oxycarbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

이름 및 동의어

VUKDWNGELRZGOE-MFKCLSPESA-Nmethyl (1 S,2R)-[1 -benzyl-3-[(3 S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamatemethyl (1S,2R)-[1-benzyl-3-[(3 S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamatemethyl (1S,2R)-[1-benzyl-3-[(3S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamatemethyl(1S,2R)-[1-benzyl-3-[(3S,4aS,8aS)-3-tert-butoxycarbamoyl-octahydro-isoquinolin-2-yl]-2-hydroxy-propyl]-carbamate

데이터베이스 식별자

PubChem CID
86750132

물성

구조 계산 물성

XLogP
4.2
극성 표면적
100 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
34

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5건

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