기본 정보
- CAS
161277-31-2- 표준 SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C- InChIKey
KTZPCIMYAAVDNE-BMYMHALSSA-N- 분자식
- C44H53N7O6
- 평균 분자량
- 775.9 g/mol
- 단동위원소 질량
- 775.40573244
이름 및 식별자
- 우선 이름
- (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine (2-benzimidazolyl)methylamide
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-(benzylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
161277-31-2(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine (2-benzimidazolyl)methylamideDTXSID30167099RefChem:206742DTXCID7089590Statine deriv. 44BDBM961CHEMBL104789(2R,3R,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine (2-benzimidazolyl)methylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-{[(1H-1,3-benzimidazol-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-4-(benzylamino)-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-4-[[(1S)-1-(1H-benzimidazol-2-ylmethylcarbamoyl)-2-methyl-propyl]amino]-1-benzyl-3-(benzylamino)-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-[(1H-1,3-benzodiazol-2-ylmethyl)carbamoyl]-2-methylpropyl]carbamoyl}-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
데이터베이스 식별자
- CAS
161277-31-2- PubChem CID
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 187 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,250
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