(2R,4S)-2-hydroxy-4-((S)-3-methoxy-2-((S)-3-methoxy-2-(2-methylthiazole-5-carboxamido)propanamido)propanamido)-2-methyl-3-oxo-5-phenylpentyl 4-methylbenzenesulfonate
기본 정보
- 표준 SMILES
COC[C@H](NC(=O)c1cnc(C)s1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@](C)(O)COS(=O)(=O)c1ccc(C)cc1- InChIKey
MXNMNNCHXAXGGE-PXSDZQOHSA-N- 분자식
- C32H40N4O10S2
- 평균 분자량
- 704.8 g/mol
- 단동위원소 질량
- 704.21858583
이름 및 식별자
- 우선 이름
- (2R,4S)-2-hydroxy-4-((S)-3-methoxy-2-((S)-3-methoxy-2-(2-methylthiazole-5-carboxamido)propanamido)propanamido)-2-methyl-3-oxo-5-phenylpentyl 4-methylbenzenesulfonate
- IUPAC
- [(2R,4S)-2-hydroxy-4-[[(2S)-3-methoxy-2-[[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoyl]amino]propanoyl]amino]-2-methyl-3-oxo-5-phenylpentyl] 4-methylbenzenesulfonate
이름 및 동의어
SCHEMBL15635259MXNMNNCHXAXGGE-PXSDZQOHSA-N(2R,4S)-2-hydroxy-4-((S)-3-methoxy-2-((S)-3-methoxy-2-(2-methylthiazole-5-carboxamido)propanamido)propanamido)-2-methyl-3-oxo-5-phenylpentyl 4-methylbenzenesulfonate
데이터베이스 식별자
- PubChem CID
- 72737660
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 236 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,190
관련 반응
1건
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