基本情報
- 標準SMILES
CC(C)CC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)N(C)C(=O)C(C)NC(=O)C(C(C)C(C)C)N(C)C(=O)CN(C)C(=O)C2CC(O)CN2C1=O- InChIKey
SATIISJKSAELDC-UHFFFAOYSA-N- 分子式
- C44H62N8O11
- 平均分子量
- 879 g/mol
- 単同位体質量
- 878.45380482
名称と識別子
- 優先名称
- 3-Hydroxy-N-(24-Hydroxy-7,11,13,17,20-Pentamethyl-16-(3-Methylbutan-2-Yl)-3-(2-Methylpropyl)-2,5,9,12,15,18,21-Heptaoxo-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo(20.3.0)Pentacosan-6-Yl)Pyridine-2-Carboxamide
- IUPAC
- 3-hydroxy-N-[24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
名称と別名
3-hydroxy-N-[24-hydroxy-7,11,13,17,20-pentamethyl-16-(3-methylbutan-2-yl)-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide3-Hydroxy-N-(24-Hydroxy-7,11,13,17,20-Pentamethyl-16-(3-Methylbutan-2-Yl)-3-(2-Methylpropyl)-2,5,9,12,15,18,21-Heptaoxo-10-Phenyl-8-Oxa-1,4,11,14,17,20-Hexazabicyclo(20.3.0)Pentacosan-6-Yl)Pyridine-2-CarboxamideRefChem:1067982Antibiotic 6613ENTAMYCINAntibioticum 6613NSC88468Antibioticum 6613 [German]102646-56-0Neoviridogrisein IVAntibiotic K-179Antibiotic F-1370A
名称をさらに表示
SCHEMBL4088801CHEMBL1993563SCHEMBL29403733AEC46721NSC-88468BS-1380Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-leucyl-4-allo-hydroxy-D-prolyl-N-methylglycyl-N,3,4-trimethyl-L-norvalyl-L-alanyl-N-methyl-L-2-phenyl-, .upsilon.-lactoneGlycine, N-[N-[N-[N-[4-allo-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenyl-, .upsilon.-lactone
データベース識別子
- CAS
102646-56-0- PubChem CID
- 417256
- ChEMBL
CHEMBL1993563- Nikkaji
- J981.041B
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 248 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 12
- 回転可能結合数
- 7
- 重原子数
- 63
- 形式電荷
- 0
- 複雑度
- 1,670
関連反応
1 件
関連ノート
読み込み中…