2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

HCID 22184841

기본 정보

표준 SMILES
CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OC3(C(=O)OCC)CCC3)c3ccc(C)cc3n2)CC1
InChIKey
LTKHTSRMKSGELM-UHFFFAOYSA-N
분자식
C34H46N4O9
평균 분자량
654.7 g/mol
단동위원소 질량
654.32647906

이름 및 식별자

우선 이름
2-[1-(4-(Ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline
IUPAC
ethyl 4-[2-[[4-(1-ethoxycarbonylcyclobutyl)oxy-7-methylquinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL5406258LTKHTSRMKSGELM-UHFFFAOYSA-N2-[1-(4-(ethoxycarbonyl)piperazin-1-yl)carbonyl-3-(1,1-dimethylethoxycarbonyl)propyl]aminocarbonyl-7-methyl-4-(1-(ethoxycarbonyl)cyclobut-1-oxy)quinoline

데이터베이스 식별자

PubChem CID
22184841

물성

구조 계산 물성

XLogP
3.9
극성 표면적
154 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
15
무거운 원자 수
47

관련 반응

6건

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