tert-butyl 2-[({(2R,3S)-2-hydroxy-3-[((2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanoyl)amino]-4-phenylbutyl}amino)methyl]pyrrolidine-1-carboxylate

HCID 66891972
노트반응
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기본 정보

표준 SMILES
Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCC3CCCN3C(=O)OC(C)(C)C)C(C)C)C2=O)cs1
InChIKey
MHXGESJBUNABTJ-SBIMLLMBSA-N
분자식
C33H50N6O5S
평균 분자량
642.9 g/mol

이름 및 식별자

우선 이름
tert-butyl 2-[({(2R,3S)-2-hydroxy-3-[((2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanoyl)amino]-4-phenylbutyl}amino)methyl]pyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-[[[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanoyl]amino]-4-phenylbutyl]amino]methyl]pyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL1059309MHXGESJBUNABTJ-SBIMLLMBSA-Ntert-butyl 2-[({(2R,3S)-2-hydroxy-3-[((2S)-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanoyl)amino]-4-phenylbutyl}amino)methyl]pyrrolidine-1-carboxylate

데이터베이스 식별자

PubChem CID
66891972

물성

구조 계산 물성

XLogP
3.6
극성 표면적
156 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
15
무거운 원자 수
45

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