tert-Butyl 1-methyl-5-(1-methyl-2-(1-methyl-5-(1-methyl-5-(2-(pyridin-2-yldisulfanyl)ethylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-imidazol-4-ylcarbamoyl)-1H-pyrrol-3-ylcarbamate

HCID 86644084

기본 정보

표준 SMILES
Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cn2C)cc1C(=O)NCCSSc1ccccn1
InChIKey
ZWGRFMBIDYYCQC-UHFFFAOYSA-N
분자식
C35H41N11O6S2
평균 분자량
775.9 g/mol
단동위원소 질량
775.26827042

이름 및 식별자

우선 이름
tert-Butyl 1-methyl-5-(1-methyl-2-(1-methyl-5-(1-methyl-5-(2-(pyridin-2-yldisulfanyl)ethylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-imidazol-4-ylcarbamoyl)-1H-pyrrol-3-ylcarbamate
IUPAC
tert-butyl N-[1-methyl-5-[[1-methyl-2-[[1-methyl-5-[[1-methyl-5-[2-(pyridin-2-yldisulfanyl)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoyl]imidazol-4-yl]carbamoyl]pyrrol-3-yl]carbamate

이름 및 동의어

SCHEMBL29959644ZWGRFMBIDYYCQC-UHFFFAOYSA-Ntert-Butyl 1-methyl-5-(1-methyl-2-(1-methyl-5-(1-methyl-5-(2-(pyridin-2-yldisulfanyl)ethylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-pyrrol-3-ylcarbamoyl)-1H-imidazol-4-ylcarbamoyl)-1H-pyrrol-3-ylcarbamate

데이터베이스 식별자

PubChem CID
86644084

물성

구조 계산 물성

XLogP
1.8
극성 표면적
251 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
15
무거운 원자 수
54

관련 반응

5건

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