(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester

HCID 53762937
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기본 정보

표준 SMILES
COC(=O)c1c(C)c(OC)cc(O)c1CSC[C@H](Nc1nc(C)co1)c1nc(C)no1
InChIKey
DJFDTTWZWMAUAY-AWEZNQCLSA-N
분자식
C20H24N4O6S
평균 분자량
448.5 g/mol

이름 및 식별자

우선 이름
(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester
IUPAC
methyl 5-hydroxy-3-methoxy-2-methyl-6-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(4-methyl-1,3-oxazol-2-yl)amino]ethyl]sulfanylmethyl]benzoate

이름 및 동의어

SCHEMBL8869668DJFDTTWZWMAUAY-AWEZNQCLSA-N(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol -5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4- methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester

데이터베이스 식별자

PubChem CID
53762937

물성

구조 계산 물성

XLogP
3.2
극성 표면적
158 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
10
무거운 원자 수
31

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