Chem
J-GLOBAL ID：200907002665312545
Nikkaji number：J1.055.864F
(2S,7S,11S,14S,19S,23S,26S)-2,14-Diphenethyl-7,19-bis(4-aminobutyl)-11,23-dimethyl-26-(aminomethyl)-28-phenyl-5,9,13,17,21,25-hexaoxo-4,8,12,16,20,24-hexaazaoctacosanoic acid
(2S,7S,11S,14S,19S,23S,26S)-2,14-ジフェネチル-7,19-ビス(4-アミノブチル)-11,23-ジメチル-26-(アミノメチル)-28-フェニル-5,9,13,17,21,25-ヘキサオキソ-4,8,12,16,20,24-ヘキサアザオクタコサン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C55H83N9O8
Molecular formula furigana： C55-H83-N9-O8
Molecular weight： 998.324
InChI：
InChI=1S/C55H83N9O8/c1-39(61-53(69)44(36-58)27-24-41-16-6-3-7-17-41)32-51(67)63-47(22-12-14-30-56)34-49(65)59-37-45(28-25-42-18-8-4-9-19-42)54(70)62-40(2)33-52(68)64-48(23-13-15-31-57)35-50(66)60-38-46(55(71)72)29-26-43-20-10-5-11-21-43/h3-11,16-21,39-40,44-48H,12-15,22-38,56-58H2,1-2H3,(H,59,65)(H,60,66)(H,61,69)(H,62,70)(H,63,67)(H,64,68)(H,71,72)/t39-,40-,44-,45-,46-,47-,48-/m0/s1
InChI key：
JBTQYXHPMIBKOM-TZKBOOPOSA-N
SMILES：
C[C@@H](CC(=O)N[C@@H](CCCCN)CC(=O)NC[C@H](CCc1ccccc1)C(=O)N[C@@H](C)CC(=O)N[C@@H](CCCCN)CC(=O)NC[C@H](CCc1ccccc1)C(=O)O)NC(=O)[C@H](CN)CCc1ccccc1
Systematic name (3)：
- (2S,7S,11S,14S,19S,23S,26S)-2,14-ジフェネチル-7,19-ビス(4-アミノブチル)-11,23-ジメチル-26-(アミノメチル)-28-フェニル-5,9,13,17,21,25-ヘキサオキソ-4,8,12,16,20,24-ヘキサアザオクタコサン酸
- (2S)-2-{[(3S)-7-アミノ-3-[(3S)-3-[(2S)-2-{[(3S)-7-アミノ-3-[(3S)-3-[(2S)-2-(アミノメチル)-4-フェニルブタンアミド]ブタンアミド]ヘプタンアミド]メチル}-4-フェニルブタンアミド]ブタンアミド]ヘプタンアミド]メチル}-4-フェニルブタン酸
- (2S)-2-{[(3S)-7-amino-3-[(3S)-3-[(2S)-2-{[(3S)-7-amino-3-[(3S)-3-[(2S)-2-(aminomethyl)-4-phenylbutanamido]butanamido]heptanamido]methyl}-4-phenylbutanamido]butanamido]heptanamido]methyl}-4-phenylbutanoic acid
- (2S,7S,11S,14S,19S,23S,26S)-2,14-Diphenethyl-7,19-bis(4-aminobutyl)-11,23-dimethyl-26-(aminomethyl)-28-phenyl-5,9,13,17,21,25-hexaoxo-4,8,12,16,20,24-hexaazaoctacosanoic acid
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