(3R,4R)-3-({Isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-4-[(methyl-phenylacetyl-amino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
기본 정보
- 표준 SMILES
COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C)C(=O)Cc2ccccc2)C(C)C)ccc1OC- InChIKey
WIIMLYQKAFDLGJ-WDYNHAJCSA-N- 분자식
- C35H51N3O7
- 평균 분자량
- 625.8 g/mol
이름 및 식별자
- 우선 이름
- (3R,4R)-3-({Isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-4-[(methyl-phenylacetyl-amino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3R,4R)-3-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]methyl]-4-[[methyl-(2-phenylacetyl)amino]methyl]pyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL3372371WIIMLYQKAFDLGJ-WDYNHAJCSA-N(3R,4R)-3-({Isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-4-[(methyl-phenylacetyl-amino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 59512485
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 97.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 933
관련 반응
2건
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