기본 정보
- 표준 SMILES
C#CCOC(=O)OC(C)(COS(C)(=O)=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1- InChIKey
ZDGORJSHLVQFRD-GHCZYRNDSA-N- 분자식
- C45H63N5O12S
- 평균 분자량
- 898.1 g/mol
이름 및 식별자
- 우선 이름
- (4S,7S,10S,13S)-10-Benzyl-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-15-(((prop-2 yn-1-yloxy)carbonyl)oxy)-3,6,9,12-tetraazahexadecan-16-yl methanesulfonate
- IUPAC
- [(4S)-2,6-dimethyl-4-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-oxo-2-prop-2-ynoxycarbonyloxyheptyl] methanesulfonate
이름 및 동의어
SCHEMBL15634700ZDGORJSHLVQFRD-GHCZYRNDSA-N(4S,7S,10S,13S)-10-Benzyl-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-15-(((prop-2 yn-1-yloxy)carbonyl)oxy)-3,6,9,12-tetraazahexadecan-16-yl methanesulfonate(4S,7S,10S,13S)-10-Benzyl-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-15-(((prop-2-yn-1-yloxy)carbonyl)oxy)-3,6,9,12-tetraazahexadecan-16-yl methanesulfonate
데이터베이스 식별자
- PubChem CID
- 86715384
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 233 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,660
관련 반응
2건
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