기본 정보
- 표준 SMILES
CC(C)CCCCCCCCCC(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC1COC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc2ncc[nH]2)NC1=O)C(C)O- InChIKey
HDSHTQMHVLVTSB-UHFFFAOYSA-N- 분자식
- C41H67N11O12
- 평균 분자량
- 906 g/mol
- 단동위원소 질량
- 905.49706658
개요
Kurstakin 4 is a cyclodepsipeptide.
이름 및 식별자
- 우선 이름
- Kurstakin 4
- IUPAC
- N-[1-[[2-[[1-[[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamide
이름 및 동의어
Kurstakin 4N-[1-[[2-[[1-[[3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-11-methyldodecanamideN-(1-((2-((1-((3,6-bis(3-amino-3-oxopropyl)-9-(1H-imidazol-2-ylmethyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl)amino)-1-oxopropan-2-yl)amino)-2-oxoethyl)amino)-3-hydroxy-1-oxobutan-2-yl)-11-methyldodecanamideN-(2-hydroxy-1-((((1-((5,8,11-trihydroxy-3,6-bis(2-(C-hydroxycarbonimidoyl)ethyl)-9-((1H-imidazol-2-yl)methyl)-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl)-C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl)methyl)-C-hydroxycarbonimidoyl)propyl)-11-methyldodecanimidateN-{2-hydroxy-1-[({[1-({5,8,11-trihydroxy-3,6-bis[2-(C-hydroxycarbonimidoyl)ethyl]-9-[(1H-imidazol-2-yl)methyl]-2-oxo-1-oxa-4,7,10-triazacyclotrideca-4,7,10-trien-12-yl}-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}methyl)-C-hydroxycarbonimidoyl]propyl}-11-methyldodecanimidateRefChem:151544CHEBI:214693
데이터베이스 식별자
- ChEBI
CHEBI:214693
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 365 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,620
관련 반응
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