基本情報
- CAS
129816-93-9- 標準SMILES
CCC(C)[C@H]1C(=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)N(C)[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N(C)[C@@H](C(C)CC)C(=O)N1C- InChIKey
FBZRAZXMRYNIBO-XKLSZAFKSA-N- 分子式
- C63H95BrN10O13
- 平均分子量
- 1,280.4 g/mol
- 単同位体質量
- 1,278.62635
名称と識別子
- 優先名称
- L-Tyrosine, N-(N-(N-(N-(N-(N-(4-bromophenyl)-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-
- IUPAC
- N-(4-bromophenyl)-2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-di(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]acetamide
名称と別名
129816-93-9L-Tyrosine, N-(N-(N-(N-(N-(N-(4-bromophenyl)-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-L-Tyrosine, N-[N-[N-[N-[N-[N-(4-bromophenyl)-N2-[N-[N-[[1-(2-hydroxy-1-oxopropyl)-2-piperidinyl]carbonyl]-N-methyl-L-valyl]-L-valyl]-N2-methyl-L-asparaginyl]-N-methyl-L-isoleucyl]-N-methyl-L-isoleucyl]glycyl]-N-methyl-L-valyl]-O-methyl-, .delta.1-lactone, [R-(R*,S*)]-N-(4-bromophenyl)-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-2,5,8,11,14,17,20,23,26,29-decaoxo-15,18-disec-butyl-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetamide
データベース識別子
- CAS
129816-93-9- PubChem CID
- 461375
物性
構造計算による物性
- XLogP
- 7.4
- 極性表面積
- 274 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 13
- 回転可能結合数
- 13
- 重原子数
- 87
- 形式電荷
- 0
- 複雑度
- 2,400
関連反応
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