기본 정보
- 표준 SMILES
CCC1=C(C)C(/C=c2/[nH]/c(=C\c3[nH]c(/C=C4\N=C(O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)=NC1=O- InChIKey
VUXLILWIGPBTLI-XPIJGMCFSA-N- 분자식
- C33H40N4O6
- 평균 분자량
- 588.7 g/mol
- 단동위원소 질량
- 588.294785
이름 및 식별자
- 우선 이름
- 3-[(2Z,5E)-2-[[3-(2-Carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
- IUPAC
- 3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
이름 및 동의어
3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid3-((2Z,5E)-2-((3-(2-Carboxyethyl)-5-((Z)-((3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene)methyl)-4-methyl-1H-pyrrol-2-yl)methylidene)-5-((4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene)-4-methylpyrrol-3-yl)propanoic acidRefChem:488366844-196-3CYCSCHEMBL29375693Q2349030
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,400
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…