1-{[1-(5-Allyloxy-2-tert-butoxycarbonylamino-pentanoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester

HCID 68749535

기본 정보

표준 SMILES
C=CCOCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2nccc3cc(OC)ccc23)CC1C(=O)NC1(C(=O)OCC)CC1C=C
InChIKey
YILSQAZYDACCLX-UHFFFAOYSA-N
분자식
C36H48N4O9
평균 분자량
680.8 g/mol

이름 및 식별자

우선 이름
1-{[1-(5-Allyloxy-2-tert-butoxycarbonylamino-pentanoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester
IUPAC
ethyl 2-ethenyl-1-[[4-(6-methoxyisoquinolin-1-yl)oxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-prop-2-enoxypentanoyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate

이름 및 동의어

SCHEMBL3699918YILSQAZYDACCLX-UHFFFAOYSA-N1-{[1-(5-Allyloxy-2-tert-butoxycarbonylamino-pentanoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester1-{[1-(5-Allyloxy-2-tert-butoxycarbonylamino-pentanoyl)-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinylcyclopropanecarboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
68749535

물성

구조 계산 물성

XLogP
4.6
극성 표면적
155 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
19
무거운 원자 수
49

관련 반응

4건

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