(2r,4r)-Tert-butyl 2-((1s,2s)-2-((s)-2-((s)-3-acetamido-3-((r)-sec-butyl)-2-oxopyrrolidin-1-yl)-4-phenylbutanamido)-1-(tert-butyldimethylsilyloxy)-3-phenylpropyl)-4-(propylsulfonyl)pyrrolidine-1-carboxylate

HCID 69197054
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기본 정보

표준 SMILES
CCCS(=O)(=O)[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@H](C)CC)C2=O)N(C(=O)OC(C)(C)C)C1
InChIKey
LLMIGAULLQTMCB-MNQYHWTDSA-N
분자식
C47H74N4O8SSi
평균 분자량
883.3 g/mol

이름 및 식별자

우선 이름
(2r,4r)-Tert-butyl 2-((1s,2s)-2-((s)-2-((s)-3-acetamido-3-((r)-sec-butyl)-2-oxopyrrolidin-1-yl)-4-phenylbutanamido)-1-(tert-butyldimethylsilyloxy)-3-phenylpropyl)-4-(propylsulfonyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl (2R,4R)-2-[(1S,2S)-2-[[(2S)-2-[(3S)-3-acetamido-3-[(2R)-butan-2-yl]-2-oxopyrrolidin-1-yl]-4-phenylbutanoyl]amino]-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropyl]-4-propylsulfonylpyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL4802123LLMIGAULLQTMCB-MNQYHWTDSA-N(2r,4r)-tert-butyl 2-((1s,2s)-2-((s)-2-((s)-3-acetamido-3-((r)-sec-butyl)-2-oxopyrrolidin-1-yl)-4-phenylbutanamido)-1-(tert-butyldimethylsilyloxy)-3-phenylpropyl)-4-(propylsulfonyl)pyrrolidine-1-carboxylate

데이터베이스 식별자

PubChem CID
69197054

물성

구조 계산 물성

극성 표면적
160 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
21
무거운 원자 수
61

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