기본 정보
- 표준 SMILES
CCC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)N1CCN(Cc2cccnc2C)C1=O- InChIKey
OJHNXZSYSBDTOS-JETXDNHXSA-N- 분자식
- C42H58N6O6
- 평균 분자량
- 742.9 g/mol
이름 및 식별자
- 우선 이름
- methyl (1S)-1-[({(1S,2S,4S)-1-benzyl-2-hydroxy-4-[((2S)-3-methyl-2-{3-[(2-methyl-3-pyridinyl)methyl]-2-oxo-1-imidazolidinyl}pentanoyl)amino]-5-phenylpentyl}amino)carbonyl]-2,2-dimethylpropylcarbamate
- IUPAC
- methyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[3-[(2-methyl-3-pyridinyl)methyl]-2-oxoimidazolidin-1-yl]pentanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
OJHNXZSYSBDTOS-JETXDNHXSA-Nmethyl (1S)-1-[({(1S,2S,4S)-1-benzyl-2-hydroxy-4-[((2S)-3-methyl-2-{3-[(2-methyl-3-pyridinyl)methyl]-2-oxo-1-imidazolidinyl}pentanoyl)amino]-5-phenylpentyl}amino)carbonyl]-2,2-dimethylpropylcarbamatemethyl(1S)-1-[({(1s,2s,4s)-1-benzyl-2-hydroxy-4-[((2s)-3-methyl-2-{3-[(2-methyl-3-pyridinyl)methyl]-2-oxo-1-imidazolidinyl}pentanoyl)amino]-5-phenylpentyl}amino)carbonyl]-2,2-dimethylpropylcarbamate
데이터베이스 식별자
- PubChem CID
- 11297171
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,200
관련 반응
1건
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