Micropeptin LH1062
기본 정보
- 표준 SMILES
CCCCCCCC(=O)N[C@@H](CCC(=O)OC)C(=O)NC1C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H]2CC[C@H](O)N(C2=O)[C@H](Cc2ccccc2)C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)OC1C- InChIKey
GBJLMUFWWICUPN-KVDCAQDBSA-N- 분자식
- C53H78N10O13
- 평균 분자량
- 1,063.2 g/mol
- 단동위원소 질량
- 1,062.57498258
개요
Micropeptin LH1062 has been reported in Microcystis with data available.
이름 및 식별자
- 우선 이름
- Micropeptin LH1062
- IUPAC
- methyl (4S)-5-[[(2R,5R,8S,15R,18R,21S)-2-benzyl-15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(octanoylamino)-5-oxopentanoate
이름 및 동의어
Micropeptin LH1062methyl (4S)-5-(((2R,5R,8S,15R,18R,21S)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-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)amino)-4-octanamido-5-oxopentanoatemethyl (4S)-5-(((2R,5R,8S,15R,18R,21S)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-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)amino)-4-octanamido-5-oxopentanoateRefChem:357061DTXSID801334808Methyl N-[(2R,5R,8S,15R,18R,21S)-2-benzyl-15-{3-[(diaminomethylidene)amino]propyl}-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl]-N~2~-octanoyl-L-alpha-glutaminate
데이터베이스 식별자
- PubChem CID
- 155802057
- DTXSID
DTXSID801334808
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 344 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,990
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