4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-beta-methoxycarbonylphenethyl]benzophenone

HCID 86741575

기본 정보

표준 SMILES
COC(=O)C(Cc1cccc(C(=O)c2cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c(OC(C)=O)c(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c2)c1)c1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
InChIKey
WYXVOIGYBJCNIH-UHFFFAOYSA-N
분자식
C57H68I4N2O15
평균 분자량
1,528.8 g/mol

이름 및 식별자

우선 이름
4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-beta-methoxycarbonylphenethyl]benzophenone
IUPAC
methyl 3-[3-[4-acetyloxy-3,5-bis[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]benzoyl]phenyl]-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate

이름 및 동의어

SCHEMBL10557290WYXVOIGYBJCNIH-UHFFFAOYSA-N4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminometh-yl]-3'-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-beta-methoxycarbonylphenethyl]benzophenone4-Acetoxy-3,5-bis[N,N-bis(t-butoxycarbonylmethyl)aminomethyl]-3'-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-beta-methoxycarbonylphenethyl]benzophenone

데이터베이스 식별자

PubChem CID
86741575

물성

구조 계산 물성

XLogP
11.9
극성 표면적
211 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
17
회전 가능 결합 수
31
무거운 원자 수
78

관련 반응

4건

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