(2-Methoxyethoxy)methyl-2-{[1-({[(3s)-1-(2-tert.butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-3-yl]amino}carbonyl)cyclopentyl]methyl}-4-(isopropylamino)-4-oxobutyric acid

HCID 69272815

기본 정보

표준 SMILES
COCCOCC(CC(=O)NC(C)C)(CC1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)CCCC1)C(=O)O
InChIKey
JZPZTZYASDFWAX-VOTTXDMFSA-N
분자식
C34H51N3O9
평균 분자량
645.8 g/mol

이름 및 식별자

우선 이름
(2-Methoxyethoxy)methyl-2-{[1-({[(3s)-1-(2-tert.butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-3-yl]amino}carbonyl)cyclopentyl]methyl}-4-(isopropylamino)-4-oxobutyric acid
IUPAC
2-(2-methoxyethoxymethyl)-2-[[1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-oxo-4-(propan-2-ylamino)butanoic acid

이름 및 동의어

SCHEMBL4997682(2-methoxyethoxy)methyl-2-{[1-({[(3S)-1-(2-tert. butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]amino}carbonyl)cyclopentyl]methyl}-4-(isopropylamino)-4-oxobutyric acid(2-methoxyethoxy)methyl-2-{[1-({[(3s)-1-(2-tert.butoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-3-yl]amino}carbonyl)cyclopentyl]methyl}-4-(isopropylamino)-4-oxobutyric acid

데이터베이스 식별자

PubChem CID
69272815

물성

구조 계산 물성

XLogP
2.8
극성 표면적
161 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
17
무거운 원자 수
46

관련 반응

4건

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