기본 정보
- CAS
161510-55-0- 표준 SMILES
CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C- InChIKey
ANUZDKWLVLGFCY-LOFFRUMASA-N- 분자식
- C42H52N6O6
- 평균 분자량
- 736.9 g/mol
- 단동위원소 질량
- 736.3948334
이름 및 식별자
- 우선 이름
- (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-(2-pyridinylmethoxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
- IUPAC
- pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
161510-55-0(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-(2-pyridinylmethoxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID60167183RefChem:206747DTXCID2089674Statine deriv. 37BDBM954CHEMBL107125(2R,3R,4S)-N-[2-(Benzylamino)-4-[[N-(2-pyridinylmethoxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamide(Pyridin-2-yl)methyl [(2S)-1-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate2-pyridylmethyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatepyridin-2-ylmethyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
데이터베이스 식별자
- CAS
161510-55-0- PubChem CID
- 460228
- DTXSID
DTXSID60167183
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,140
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