Di-tert-butyl ((R)-(4'-chlorobiphenyl-2-yl)(1-(4-(4-((R)-4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonylcarbamoyl)-phenyl)piperidin-4-yl)methoxy)methyl phosphate

HCID 131734652
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기본 정보

표준 SMILES
CC(C)(C)OP(=O)(OCO[C@@H](c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN4CCOCC4)CSc4ccccc4)c(S(=O)(=O)C(F)(F)F)c3)cc2)CC1)OC(C)(C)C
InChIKey
JAGLWUMBNJKBMS-SJMBVDLCSA-N
분자식
C55H67ClF3N4O11PS3
평균 분자량
1,179.8 g/mol

이름 및 식별자

우선 이름
Di-tert-butyl ((R)-(4'-chlorobiphenyl-2-yl)(1-(4-(4-((R)-4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonylcarbamoyl)-phenyl)piperidin-4-yl)methoxy)methyl phosphate
IUPAC
ditert-butyl [(R)-[2-(4-chlorophenyl)phenyl]-[1-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperidin-4-yl]methoxy]methyl phosphate

이름 및 동의어

Di-tert-butyl ((R)-(4'-chlorobiphenyl-2-yl)(1-(4-(4-((R)-4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonylcarbamoyl)-phenyl)piperidin-4-yl)methoxy)methyl phosphate

데이터베이스 식별자

PubChem CID
131734652

물성

구조 계산 물성

XLogP
11.5
극성 표면적
221 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
18
회전 가능 결합 수
24
무거운 원자 수
78

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