基本情報
- CAS
129837-06-5- 標準SMILES
CCCCCCCCOC(=O)C[C@H]1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C- InChIKey
KEJFHUSSUDKRMW-ZIAUEMQISA-N- 分子式
- C65H107N9O14
- 平均分子量
- 1,238.6 g/mol
- 単同位体質量
- 1,237.79374912
名称と識別子
- 優先名称
- L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-alpha-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, 4-octyl ester, delta1-lactone, (R-(R*,S*))-
- IUPAC
- octyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate
名称と別名
129837-06-5L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-alpha-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, 4-octyl ester, delta1-lactone, (R-(R*,S*))-L-Tyrosine, N-[N-[N-[N-[N-[N-[N-[N-[[1-(2-hydroxy-1-oxopropyl)-2-piperidinyl]carbonyl]-N-methyl-L-valyl]-L-valyl]-N-methyl-L-.alpha.-aspartyl]-N-methyl-L-isoleucyl]-N-methyl-L-isoleucyl]glycyl]-N-methyl-L-valyl]-O-methyl-, 4-octyl ester, .delta.1-lactone, [R-(R*,S*)]-octyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-9,24,27-triisopropyl-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-15,18-bis[(1S)-1-methylpropyl]-2,5,8,11,14,17,20,23,26,29-decaoxo-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate
データベース識別子
- CAS
129837-06-5- PubChem CID
- 461373
- Nikkaji
- J602.928K
物性
構造計算による物性
- XLogP
- 9.2
- 極性表面積
- 271 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 14
- 回転可能結合数
- 20
- 重原子数
- 88
- 形式電荷
- 0
- 複雑度
- 2,350
関連反応
0 件
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