기본 정보
- 표준 SMILES
C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C- InChIKey
KEUIEPSPMZCRNU-MGDFNBQSSA-N- 분자식
- C53H70N8O12
- 평균 분자량
- 1,011.2 g/mol
- 단동위원소 질량
- 1,010.5113197
개요
[D-Asp3]MC-LW has been reported in Microcystis aeruginosa with data available.
이름 및 식별자
- 우선 이름
- (D-Asp3)MC-LW
- IUPAC
- (5R,8S,11R,15S,18S,19S,22R)-15-(1H-indol-3-ylmethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
이름 및 동의어
[D-Asp3]MC-LW(D-Asp3)MC-LW(5R,8S,11R,15S,18S,19S,22R)-15-(1H-indol-3-ylmethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid(5R,8S,11R,15S,18S,19S,22R)-15-(1H-indol-3-ylmethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acidRefChem:210325(5R,8S,11R,15S,18S,19S,22R)-15-(indolin-3-ylmethyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acidDTXSID601335648NS00114493(5R,8S,11R,15S,18S,19S,22R)-15-[(1H-Indol-3-yl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 295 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 2,050
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