(R)-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-2-[2-cyanoamino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanylmethyl]-5-methoxy-6-methyl-benzoic acid methyl ester (HCID 53958922)

기본 정보

표준 SMILES: COC(=O)c1c(C)c(OC)cc(O[Si](C)(C)C(C)(C)C(C)C)c1CSC[C@H](NC#N)c1nc(C)no1
InChIKey: JJORSYPCFRGPPM-IBGZPJMESA-N
분자식: C25H38N4O5SSi
평균 분자량: 534.7 g/mol
단동위원소 질량: 534.23321803

이름 및 식별자

우선 이름: (R)-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-2-[2-cyanoamino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanylmethyl]-5-methoxy-6-methyl-benzoic acid methyl ester
IUPAC: methyl 2-[[(2R)-2-(cyanoamino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-5-methoxy-6-methylbenzoate

이름 및 동의어

SCHEMBL8868757JJORSYPCFRGPPM-IBGZPJMESA-N(R)-3-[dimethyl -(1,1,2-trimethyl-propyl)-silanyloxy]-2-[2-cyanoamino-2-(3-methyl-1,2,4-oxadiazol-5-yl) -ethylsulfanylmethyl]-5-methoxy-6-methyl-benzoic acid methyl ester(R)-3-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-2-[2-cyanoamino-2-(3-methyl-1,2,4-oxadiazol-5-yl)-ethylsulfanylmethyl]-5-methoxy-6-methyl-benzoic acid methyl ester

데이터베이스 식별자

PubChem CID: 53958922

물성

구조 계산 물성

극성 표면적: 145 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 10
회전 가능 결합 수: 13
무거운 원자 수: 36
형식 전하: 0
복잡도: 777

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