기본 정보
- CAS
946828-32-6- 표준 SMILES
CC[C@H](C)[C@@H]1NC(=O)C(Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)[C@@H](C)OC1=O- InChIKey
HUXQLCBYRTWEFS-FEJKOTDMSA-N- 분자식
- C53H70N8O14
- 평균 분자량
- 1,043.2 g/mol
- 단동위원소 질량
- 1,042.50114894
개요
Ichthyopeptin A is a cyclodepsipeptide.
이름 및 식별자
- 우선 이름
- Ichthyopeptin A
- IUPAC
- (2S)-N-[(2S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
이름 및 동의어
ichthyopeptin ADTXSID101335293946828-32-6(2S)-N-[(2S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide(2S)-N-((2S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((2S)-butan-2-yl)-21-hydroxy-15-((4-hydroxyphenyl)methyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo(16.3.1)docosan-12-yl)-2-((2-hydroxy-3-(4-hydroxyphenyl)propanoyl)amino)pentanediamideRefChem:147604DTXCID701765040(2R)-N1-((2S,8S,11S,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-15-(4-hydroxybenzyl)-2-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo(16.3.1)docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)pentanediamideSCHEMBL29885824CHEBI:222006N~1~-[(2S,8S,11R,12S,15S,18S,21R)-5-Benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-L-glutamamide
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 336 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 1,990
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…