(4S,7S,10S,13S)-10-Benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-3,6,9,12-tetraazahexadecan-16-yl 2,4-dimethoxy-6-(prop-2-yn-1-yloxy)benzenesulfonate
기본 정보
- 표준 SMILES
C#CCOc1cc(OC)cc(OC)c1S(=O)(=O)OCC(C)(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
UVURPYQNPAGOKN-KYXGCANCSA-N- 분자식
- C51H69N5O13S
- 평균 분자량
- 992.2 g/mol
- 단동위원소 질량
- 991.46125845
이름 및 식별자
- 우선 이름
- (4S,7S,10S,13S)-10-Benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-3,6,9,12-tetraazahexadecan-16-yl 2,4-dimethoxy-6-(prop-2-yn-1-yloxy)benzenesulfonate
- IUPAC
- [(4S)-2-hydroxy-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-oxoheptyl] 2,4-dimethoxy-6-prop-2-ynoxybenzenesulfonate
이름 및 동의어
SCHEMBL15634560UVURPYQNPAGOKN-KYXGCANCSA-N(4S,7S,10S,13S)-10-Benzyl-15-hydroxy-7,13-diisobutyl-15-methyl-1-morpholino-2,5,8,11,14-pentaoxo-4-phenethyl-3,6,9,12-tetraazahexadecan-16-yl 2,4-dimethoxy-6-(prop-2-yn-1-yloxy)benzenesulfonate
데이터베이스 식별자
- PubChem CID
- 86715391
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 246 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,820
관련 반응
1건
화합물 노트
불러오는 중…