MM 49721
基本情報
- CAS
126985-52-2- 標準SMILES
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)Oc2ccc(cc2)C1O- InChIKey
APHXQKPMYQJNNO-UHFFFAOYSA-N- 分子式
- C72H87N9O28
- 平均分子量
- 1,526.5 g/mol
- 単同位体質量
- 1,525.56605315
概要
structure given in first source; from Amycolatopsis orientalis
名称と識別子
- 優先名称
- MM 49721
- IUPAC
- 2-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-48-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acid
名称と別名
MM 49721126985-52-2MM-49721RefChem:1592662-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-22-(2-amino-2-oxoethyl)-48-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-18,32,35,37-tetrahydroxy-19-((4-methyl-2-(methylamino)pentanoyl)amino)-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo(26.14.2.23,6.214,17.18,12.129,33.010,25.034,39)pentaconta-3(50),4,6(49),8,10,12(48),14(47),15,17(46),29(45),30,32,34(39),35,37-pentadecaene-40-carboxylic acidSCHEMBL30497787Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-D-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-10,19-didechloro-2'-O-(6-deoxy-alpha-D-talopyranosyl)-
データベース識別子
- CAS
126985-52-2- PubChem CID
- 195502
物性
構造計算による物性
- XLogP
- -5
- 極性表面積
- 589 Ų
- 水素結合供与体数
- 21
- 水素結合受容体数
- 30
- 回転可能結合数
- 15
- 重原子数
- 109
- 形式電荷
- 0
- 複雑度
- 3,170
関連反応
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