3-(((1S,2S)-1-((2R,4R)-1-(tert-butoxycarbonyl)-4-propoxypyrrolidin-2-yl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propan-2-yl)carbamoyl)-5-methylbenzoic acid

HCID 59346848

기본 정보

표준 SMILES
CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(C(=O)O)c2)N(C(=O)OC(C)(C)C)C1
InChIKey
XUJDUBMHRFDTLW-ITGKQZKFSA-N
분자식
C36H52F2N2O7Si
평균 분자량
690.9 g/mol

이름 및 식별자

우선 이름
3-(((1S,2S)-1-((2R,4R)-1-(tert-butoxycarbonyl)-4-propoxypyrrolidin-2-yl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propan-2-yl)carbamoyl)-5-methylbenzoic acid
IUPAC
3-[[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-1-[(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propoxypyrrolidin-2-yl]propan-2-yl]carbamoyl]-5-methylbenzoic acid

이름 및 동의어

SCHEMBL2205135XUJDUBMHRFDTLW-ITGKQZKFSA-N3-(((1S,2S)-1-((2R,4R)-1-(tert-butoxycarbonyl)-4-propoxypyrrolidin-2-yl)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)propan-2-yl)carbamoyl)-5-methylbenzoic acid

데이터베이스 식별자

PubChem CID
59346848

물성

구조 계산 물성

극성 표면적
114 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
15
무거운 원자 수
48

관련 반응

7건

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