15-Oxa-2,8,11-triazaheptadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-((2,3,4-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4R*,6S*,9R*))-
基本情報
- CAS
178047-87-5- 標準SMILES
CCOCCCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OC)c(OC)c1OC)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C- InChIKey
JXHZEBDHDADUQD-NYTDTBNFSA-N- 分子式
- C37H57N3O9
- 平均分子量
- 687.9 g/mol
- 単同位体質量
- 687.4094804
名称と識別子
- 優先名称
- 15-Oxa-2,8,11-triazaheptadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-((2,3,4-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4R*,6S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-oxo-1-phenyl-5-[(2,3,4-trimethoxyphenyl)methyl]hexan-2-yl]carbamate
名称と別名
178047-87-515-Oxa-2,8,11-triazaheptadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-((2,3,4-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4R*,6S*,9R*))-15-Oxa-2,8,11-triazaheptadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-[(2,3,4-trimethoxyphenyl)methyl]-, 1,1-dimethylethyl ester, [3S-(3R*,4R*,6S*,9R*)]-DTXSID20939025(2R,4S,5S)-5-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{(2S)-1-[(3-ethoxypropyl)imino]-1-hydroxy-3-methylbutan-2-yl}-4-hydroxy-6-phenyl-2-[(2,3,4-trimethoxyphenyl)methyl]hexanimidic acid5-{[tert-Butoxy(hydroxy)methylidene]amino}-N-{1-[(3-ethoxypropyl)imino]-1-hydroxy-3-methylbutan-2-yl}-4-hydroxy-6-phenyl-2-[(2,3,4-trimethoxyphenyl)methyl]hexanimidic acidtert-butyl n-[(1s,2s,4r)-1-benzyl-5-[[(1s)-1-(3-ethoxypropylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-5-oxo-4-[(2,3,4-trimethoxyphenyl)methyl]pentyl]carbamate
データベース識別子
- CAS
178047-87-5- PubChem CID
- 472725
- DTXSID
DTXSID20939025
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 154 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 22
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 969
関連反応
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