L-프롤린,N-[(1,1-디메틸에톡시)카르보닐]글리실-4-(벤조일라미노)-,메틸에스테르,(4R)-
Methyl (2S,4R)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylate
기본 정보
- CAS
943134-40-5- 표준 SMILES
COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccccc2)CN1C(=O)CNC(=O)OC(C)(C)C- InChIKey
NWQPLHLDALTBAX-CABCVRRESA-N- 분자식
- C20H27N3O6
- 평균 분자량
- 405.4 g/mol
- 단동위원소 질량
- 405.18998558
이름 및 식별자
- 우선 이름
- Methyl (2S,4R)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
- 현지명
- L-프롤린,N-[(1,1-디메틸에톡시)카르보닐]글리실-4-(벤조일라미노)-,메틸에스테르,(4R)-
- 영어명
- L-Proline, N-[(1,1-diMethylethoxy)carbonyl]glycyl-4-(benzoylaMino)-, Methyl ester, (4R)-
- 분자식
- C20H27N3O6
- 분자량
- 405.44
이름 및 동의어
943134-40-5Methyl (2S,4R)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylateL-Proline, N-[(1,1-dimethylethoxy)carbonyl]glycyl-4-(benzoylamino)-, methyl ester, (4R)-C20H27N3O6methyl (2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylateCHEMBL541194SCHEMBL2399785NWQPLHLDALTBAX-CABCVRRESA-NDTXSID801123970CS-M1801MFCD25372068AKOS037650263
이름 더 보기
L-프롤린,N-[(1,1-디메틸에톡시)카르보닐]글리실-4-(벤조일라미노)-,메틸에스테르,(4R)-
CS-14537Methyl N-(tert-butoxycarbonyl)glycyl-(4R)-4-benzamido-L-prolinate(2S,4R) methyl-4-benzamido-1-(2-(tert-butoxycarbonyl-amino)acetyl)pyrrolidine-2-carboxylate(2S,4R) methyl-4-benzamido-1-(2-(tert-butoxycarbonylamino)acetyl)pyrrolidine-2-carboxylate(2S,4R)-methyl 4-benzamido-1-(2-(tert-butoxycarbonyl-amino)acetyl)pyrrolidine-2-carboxylate(2S,4R)methyl-4-benzamido-1-(2-(tert-butoxycarbonyl-amino)acetyl)pyrrolidine-2-carboxylate(2s,4r)methyl-4-benzamido-1-(2-(tert-butoxycarbonylamino)acetyl)pyrrolidine-2-carboxylatemethyl (2S,4R)-4-benzamido-1-[2-(tert-butoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
데이터베이스 식별자
- CAS
943134-40-5- PubChem CID
- 25001500
- DTXSID
DTXSID801123970- ChEMBL
CHEMBL541194
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 624
물리화학적 성질
- 끓는 점
- 634.4 · 634.4±55.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.55 · 11.55±0.46(Predicted)
관련 반응
7건
화합물 노트
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