Benzyl-(1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}amino)-2-phenylcyclopropanecarboxylate trifluoroacetate

HCID 70979740
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)N[C@@]1(C(=O)OCc2ccccc2)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F
InChIKey
TXKVYIWZCKEZDP-JXXLMNQYSA-N
분자식
C28H33F3N2O6
평균 분자량
550.6 g/mol
단동위원소 질량
550.22907126

이름 및 식별자

우선 이름
Benzyl-(1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}amino)-2-phenylcyclopropanecarboxylate trifluoroacetate
IUPAC
trans-benzyl (1S,2R)-1-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]-2-phenylcyclopropane-1-carboxylate;2,2,2-trifluoroacetic acid

이름 및 동의어

Benzyl-(1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}amino)-2-phenylcyclopropanecarboxylate trifluoroacetatebenzyl (1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl)amino)-2-phenylcyclopropanecarboxylate trifluoroacetatebenzyl (1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}amino)-2-phenylcyclopropanecarboxylate trifluoroacetateSCHEMBL13731253benzyl(1S,2R)-1-({(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}amino)-2-phenylcyclopropanecarboxylate trifluoroacetate

데이터베이스 식별자

PubChem CID
70979740

물성

구조 계산 물성

극성 표면적
114 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
10
무거운 원자 수
39

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…