(2-methanesulfonyl-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

HCID 66620509

기본 정보

표준 SMILES
COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)(C)S(C)(=O)=O)[nH]4)cc3)cc2)[nH]1)C(C)C
InChIKey
GVBWCGSUGHTKFQ-UHFFFAOYSA-N
분자식
C41H52N8O8S
평균 분자량
817 g/mol

이름 및 식별자

우선 이름
(2-methanesulfonyl-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester
IUPAC
methyl N-[1-[2-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate

이름 및 동의어

SCHEMBL204176GVBWCGSUGHTKFQ-UHFFFAOYSA-N(2-methanesulfonyl-1-{2-[5-(4'-{2-[1-(2-methoxycarbonylamino-3-methyl-butyryl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-biphenyl-4-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester

데이터베이스 식별자

PubChem CID
66620509

물성

구조 계산 물성

XLogP
3.8
극성 표면적
217 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
10
회전 가능 결합 수
14
무거운 원자 수
58

관련 반응

5건

화합물 노트

불러오는 중…