기본 정보
- 표준 SMILES
CCC(C)C1NC(=O)C(NC(=O)NC(CC(C)C)C(=O)O)CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(CC(N)=O)N(C)C(=O)C(CCc2ccccc2)N(C)C1=O- InChIKey
CJKWSQVHLFUWJD-UHFFFAOYSA-N- 분자식
- C44H64N8O9
- 평균 분자량
- 849 g/mol
- 단동위원소 질량
- 848.47962565
개요
Anabaenopeptin 848 is a cyclic peptide.
이름 및 식별자
- 우선 이름
- Anabaenopeptin 848
- IUPAC
- 2-[[6-(2-amino-2-oxoethyl)-3-benzyl-12-butan-2-yl-7,10-dimethyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid
이름 및 동의어
Anabaenopeptin 8482-[[6-(2-amino-2-oxoethyl)-3-benzyl-12-butan-2-yl-7,10-dimethyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid2-(((3-benzyl-12-(butan-2-yl)-2,5,14-trihydroxy-6-((C-hydroxycarbonimidoyl)methyl)-7,10-dimethyl-8,11-dioxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,13-trien-15-yl)-C-hydroxycarbonimidoyl)amino)-4-methylpentanoate2-((6-(2-amino-2-oxoethyl)-3-benzyl-12-butan-2-yl-7,10-dimethyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-4-methylpentanoic acid2-({[3-benzyl-12-(butan-2-yl)-2,5,14-trihydroxy-6-[(C-hydroxycarbonimidoyl)methyl]-7,10-dimethyl-8,11-dioxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,13-trien-15-yl]-C-hydroxycarbonimidoyl}amino)-4-methylpentanoateRefChem:1124282-(3-(6-(2-amino-2-oxoethyl)-3-benzyl-12-(sec-butyl)-7,10-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-4-methylpentanoic acidCHEBI:221373DTXSID301046834
데이터베이스 식별자
- PubChem CID
- 146684809
- DTXSID
DTXSID301046834- ChEBI
CHEBI:221373
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 249 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,500
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…