3-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

HCID 60719

기본 정보

표준 SMILES
CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIKey
AXUZQJFHDNNPFG-UHFFFAOYSA-N
분자식
C26H27ClN2O3S2
평균 분자량
515.1 g/mol

이름 및 식별자

우선 이름
3-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
IUPAC
3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

이름 및 동의어

3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid135028-15-8SCHEMBL2729252AXUZQJFHDNNPFG-UHFFFAOYSA-NMK-679; L 668019;MK-0679;MK0679;L668019;L-6680193-(((3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propanoic acid778545-32-7KFA02815s8126AKOS030241351MK-571 (L-660711)(+)-5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID
이름 더 보기
(-)-5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID3-([3-(2-[7-chloro-2-quinolinyl]ethenyl)phenyl-(3-dimethylamino-3-oxopropyl)-thio-methyl]thio)propanoic acid3-[({3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid

데이터베이스 식별자

PubChem CID
60719

물성

구조 계산 물성

XLogP
5.3
극성 표면적
121 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
34

관련 반응

4건

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