(S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methoxy-3-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-4-yl}-propionyl]-oxazolidin-2-one

HCID 69557072
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기본 정보

표준 SMILES
CO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@H](O)c1ccc(OCCc2nc(-c3ccccc3)oc2C)c2sccc12
InChIKey
ZDHYLZABGTZBCA-NSQMQTOTSA-N
분자식
C34H32N2O7S
평균 분자량
612.7 g/mol

이름 및 식별자

우선 이름
(S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methoxy-3-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-4-yl}-propionyl]-oxazolidin-2-one
IUPAC
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-4-yl]propanoyl]-1,3-oxazolidin-2-one

이름 및 동의어

SCHEMBL5761496ZDHYLZABGTZBCA-NSQMQTOTSA-N(S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methoxy-3-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-4-yl}-propionyl]-oxazolidin-2-one

데이터베이스 식별자

PubChem CID
69557072

물성

구조 계산 물성

XLogP
5.9
극성 표면적
140 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
11
무거운 원자 수
44

관련 반응

2건
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(S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methoxy-3-{7-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzo[b]thiophen-4-yl}-propionyl]-oxazolidin-2-one (HCID 69557072)｜Huagongshe