基本情報
- CAS
72993-51-2- 標準SMILES
CCC(=O)C(=O)N(C)C(C(=O)N1CC(CC)CC1C(=O)N(C)C1C(=O)NC(CC(C)C)C(=O)N2CC(C)CC2C(=O)NC(CCC(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(C)C)C(=O)NCC(=O)OC1C)C(C)C- InChIKey
ICFLLAYTOVAMGO-UHFFFAOYSA-N- 分子式
- C61H102N10O13
- 平均分子量
- 1,183.5 g/mol
- 単同位体質量
- 1,182.76278335
概要
mycoplanecin a has been reported in Actinoplanes awajinensis with data available.
名称と識別子
- 優先名称
- Mycoplanecin A
- IUPAC
- 4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
- 英語名
- mycoplanecin A
- 分子式
- C61H102N10O13
- 分子量
- 1183.52
名称と別名
Mycoplanecin A72993-51-25F7I8745VSDTXSID0013172564-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide4-ethyl-N-methyl-1-(3-methyl-2-(methyl(2-oxobutanoyl)amino)butanoyl)-N-(4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo(26.3.0.09,13)hentriacontan-18-yl)pyrrolidine-2-carboxamideRefChem:160317DTXCID601747077UNII-5F7I8745VSorb3024668SCHEMBL41970976GTPL13757
名称をさらに表示
MycoplanecinMycoplanecin A (9CI)
TN10253Q27261957N-Methyl-N-(2-oxobutanoyl)valyl-4-ethyl-N-methyl-N-[2,10,17,25-tetramethyl-27-(3-methylbutyl)-6,16-bis(2-methylpropyl)-5,8,12,15,18,23,26,29-octaoxo-24-(propan-2-yl)hexacosahydro-1H,12H-dipyrrolo[2,1-i:2',1'-r][1,4,7,10,13,16,19,22]oxaheptaazacyclopentacosin-9-yl]prolinamideSTEREOISOMER OF N-(N-(1-(N-(N-(1-(N-(N-(1-(N-(1,2-DIOXOBUTYL)-N-METHYLVALYL)-4-ETHYLPROLYL)-N-METHYLTHREONYL)LEUCYL)-4-METHYLPROLYL)-5-METHYLNORLEUCYL)-N-METHYLVALYL)PROLYL)-N-METHYLLEUCYL)GLYCINE .PSI.-LACTONE
物性
構造計算による物性
- XLogP
- 6.5
- 極性表面積
- 273 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 13
- 回転可能結合数
- 16
- 重原子数
- 84
- 形式電荷
- 0
- 複雑度
- 2,410
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