기본 정보
- CAS
134450-41-2- 표준 SMILES
CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1- InChIKey
FXESQGVMUAWWTA-YTMVLYRLSA-N- 분자식
- C33H37F2N3O5
- 평균 분자량
- 593.7 g/mol
- 단동위원소 질량
- 593.27012761
이름 및 식별자
- 우선 이름
- L-Valinamide, N-((phenylmethoxy)carbonyl)glycyl-N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-, (S)-
- IUPAC
- benzyl N-[2-[[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate
이름 및 동의어
134450-41-2CHEMBL52130L-Valinamide, N-((phenylmethoxy)carbonyl)glycyl-N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-, (S)-(((S)-1-((S)-1-Benzyl-3,3-difluoro-2-oxo-5-phenyl-pentylcarbamoyl)-2-methyl-propylcarbamoyl)-methyl)-carbamic acid benzyl ester{[(S)-1-((S)-1-Benzyl-3,3-difluoro-2-oxo-5-phenyl-pentylcarbamoyl)-2-methyl-propylcarbamoyl]-methyl}-carbamic acid benzyl esterL-Valinamide, N-[(phenylmethoxy)carbonyl]glycyl-N-[3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl]-, (S)-SCHEMBL7410781DTXSID60158713BDBM50000812benzyl N-[2-[[(1S)-1-[[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamateN-[(Benzyloxy)carbonyl]glycyl-N-[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]-L-valinamide
데이터베이스 식별자
- CAS
134450-41-2- PubChem CID
- 452985
- DTXSID
DTXSID60158713- ChEMBL
CHEMBL52130
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 897
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