(R)-1-[3-[(3,4-Dimethoxy-benzyl)-[3-[(R)-2-carboxy-pyrrolidin-1-yl]-3-oxo-propyl]-amino]-propionyl]-pyrrolidine-2-carboxylic acid trifluoroacetate
기본 정보
- 표준 SMILES
COc1ccc(CN(CCC(=O)N2CCC[C@@H]2C(=O)O)CCC(=O)N2CCC[C@@H]2C(=O)O)cc1OC.O=C(O)C(F)(F)F- InChIKey
RJJNRNNEXMLQSS-STYNFMPRSA-N- 분자식
- C27H36F3N3O10
- 평균 분자량
- 619.6 g/mol
이름 및 식별자
- 우선 이름
- (R)-1-[3-[(3,4-Dimethoxy-benzyl)-[3-[(R)-2-carboxy-pyrrolidin-1-yl]-3-oxo-propyl]-amino]-propionyl]-pyrrolidine-2-carboxylic acid trifluoroacetate
- IUPAC
- (2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-[(3,4-dimethoxyphenyl)methyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
이름 및 동의어
(R)-1-[3-[(3,4-Dimethoxy-benzyl)-[3-[(R)-2-carboxy-pyrrolidin-1-yl]-3-oxo-propyl]-amino]-propionyl]-pyrrolidine-2-carboxylic acid trifluoroacetateSCHEMBL6786398(R)-1-[3-[(3,4-Dimethoxy-benzyl)-[3-[(R)-2-carboxy-pyrrolidin- 1-yl]-3-oxo-propyl]-amino]-propionyl]-pyrrolidine-2-carboxylic acid trifluoroacetate(R)-1-[3[(3,4-Dimethoxy-benzyl)-[3-[(R)-2-carboxy-pyrrolidin-1-yl]-3-oxo-propyl]-amino]-propionyl]-pyrrolidine-2-carboxylic acid trifluoroacetate
데이터베이스 식별자
- PubChem CID
- 69895064
물성
구조 계산 물성
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 829
관련 반응
4건
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