Minutissamide C
基本情報
- 標準SMILES
C/C=C1/NC(=O)[C@H](CC(N)=O)NC(=O)/C(=C\C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(=O)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC1=O- InChIKey
HZHLPFLQTJCCHS-HFAMINCGSA-N- 分子式
- C55H89N13O16
- 平均分子量
- 1,188.4 g/mol
- 単同位体質量
- 1,187.6550238
概要
Minutissamide C is a peptide.
名称と識別子
- 優先名称
- Minutissamide C
- IUPAC
- 2-[(3S,6S,9R,12S,15E,18S,21E,24S,27R,28R,31S)-3,18-bis(2-amino-2-oxoethyl)-15,21-di(ethylidene)-27-hydroxy-6-[(1R)-1-hydroxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-12-oxotetradecan-2-yl]-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]acetamide
名称と別名
Minutissamide C2,2',2''-((3R,4R,7S,10E,13S,16E,19S,22R,25S,28S,33aS)-10,16-diethylidene-4-hydroxy-25-((R)-1-hydroxyethyl)-7-isopropyl-22,27-dimethyl-1,5,8,11,14,17,20,23,26,29-decaoxo-3-((S)-12-oxotetradecan-2-yl)dotriacontahydro-1H-pyrrolo(2,1-c)(1,4,7,10,13,16,19,22,25,28)decaazacyclohentriacontine-13,19,28-triyl)triacetamide2,2',2''-((3R,4R,7S,10E,13S,16E,19S,22R,25S,28S,33aS)-10,16-diethylidene-4-hydroxy-25-((R)-1-hydroxyethyl)-7-isopropyl-22,27-dimethyl-1,5,8,11,14,17,20,23,26,29-decaoxo-3-((S)-12-oxotetradecan-2-yl)dotriacontahydro-1H-pyrrolo[2,1-c][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontine-13,19,28-triyl)triacetamide2-((3S,6S,9R,12S,15E,18S,21E,24S,27R,28R,31S)-3,18-bis(2-amino-2-oxoethyl)-15,21-di(ethylidene)-27-hydroxy-6-((1R)-1-hydroxyethyl)-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-((2S)-12-oxotetradecan-2-yl)-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo(29.3.0)tetratriacontan-12-yl)acetamide2-[(3S,6S,9R,12S,15E,18S,21E,24S,27R,28R,31S)-3,18-bis(2-amino-2-oxoethyl)-15,21-di(ethylidene)-27-hydroxy-6-[(1R)-1-hydroxyethyl]-4,9-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-12-oxotetradecan-2-yl]-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]acetamideRefChem:1589752-((3R,4R,7S,10E,13S,16E,19S,22R,25S,28S,33AS)-10,16-diethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-13,19-bis((C-hydroxycarbonimidoyl)methyl)-25-((1R)-1-hydroxyethyl)-22,27-dimethyl-26,29-dioxo-3-((2S)-12-oxotetradecan-2-yl)-7-(propan-2-yl)-3H,4H,7H,10H,13H,16H,19H,22H,25H,26H,27H,28H,29H,31H,32H,33H,33ah-pyrrolo(2,1-c)1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-28-yl)ethanimidate2-[(3R,4R,7S,10E,13S,16E,19S,22R,25S,28S,33AS)-10,16-diethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-13,19-bis[(C-hydroxycarbonimidoyl)methyl]-25-[(1R)-1-hydroxyethyl]-22,27-dimethyl-26,29-dioxo-3-[(2S)-12-oxotetradecan-2-yl]-7-(propan-2-yl)-3H,4H,7H,10H,13H,16H,19H,22H,25H,26H,27H,28H,29H,31H,32H,33H,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-28-yl]ethanimidateCHEMBL1814283SCHEMBL29885644CHEBI:69903DTXSID701335358
名称をさらに表示
Q271382472,2',2''-[(3R,4R,7S,10E,13S,16E,19S,22R,25S,28S,33aS)-10,16-Diethylidene-4-hydroxy-25-[(1R)-1-hydroxyethyl]-22,27-dimethyl-1,5,8,11,14,17,20,23,26,29-decaoxo-3-[(2S)-12-oxotetradecan-2-yl]-7-(propan-2-yl)dotriacontahydro-1H-pyrrolo[2,1-c][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontine-13,19,28-triyl]triacetamide
データベース識別子
- PubChem CID
- 53467644
- DTXSID
DTXSID701335358- ChEMBL
CHEMBL1814283- ChEBI
CHEBI:69903
物性
構造計算による物性
- XLogP
- -0.9
- 極性表面積
- 460 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 16
- 回転可能結合数
- 20
- 重原子数
- 84
- 形式電荷
- 0
- 複雑度
- 2,490
関連反応
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