methyl (S,S)-4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-(4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-((phenylmethoxy)carbonylamino)butanoylamino)butanoate
기본 정보
- 표준 SMILES
COC(=O)[C@H](CCC(=O)NC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC(=O)[C@H](CCC(=O)NC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)NC(=O)OCc1ccccc1- InChIKey
WDGZLQHIPYWELC-RDQINCGDSA-N- 분자식
- C31H50N4O17
- 평균 분자량
- 750.7 g/mol
이름 및 식별자
- 우선 이름
- methyl (S,S)-4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-(4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-((phenylmethoxy)carbonylamino)butanoylamino)butanoate
- IUPAC
- methyl (2S)-5-oxo-2-[[(2S)-5-oxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoate
이름 및 동의어
WDGZLQHIPYWELC-RDQINCGDSA-Nmethyl (s,s)-4-(n-((r,s,s,s)-2,3,4,5,6-pentahydroxy hexyl)carbamoyl)-2-(4-(n-((r,s,s,s)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-((phenylmethoxy)carbonylamino) butanoylamino)butanoateMethyl (S,S)-4-(N-((R,S,S,S)-2,3,4,5,6-Pentahydroxy hexyl)carbamoyl)-2-(4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-((phenylmethoxy)carbonylamino)butanoylamino)butanoatemethyl (S,S)-4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-(4-(N-((R,S,S,S)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-2-((phenylmethoxy)carbonylamino)butanoylamino)butanoate
데이터베이스 식별자
- PubChem CID
- 86590845
물성
구조 계산 물성
- XLogP
- -6.3
- 극성 표면적
- 354 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
3건
화합물 노트
불러오는 중…