(2R,3S)-N1,N4-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide

HCID 86699387

기본 정보

표준 SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
InChIKey
NXBYTETUXUSMHM-WPQDHYHXSA-N
분자식
C52H68Cl4N6O14S2
평균 분자량
1,207.1 g/mol

이름 및 식별자

우선 이름
(2R,3S)-N1,N4-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide
IUPAC
(2S,3R)-N,N'-bis[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]-2,3-dihydroxybutanediamide

이름 및 동의어

CHEMBL3946770SCHEMBL13276229NXBYTETUXUSMHM-WPQDHYHXSA-N(2R,3S)-N1,N4-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-2,3-dihydroxysuccinamide

데이터베이스 식별자

PubChem CID
86699387
ChEMBL
CHEMBL3946770

물성

구조 계산 물성

XLogP
3.2
극성 표면적
270 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
18
회전 가능 결합 수
33
무거운 원자 수
78

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