Chem
J-GLOBAL ID：202407011568389254
Nikkaji number：J3.804.226B
sodium (2S)-3-methyl-2-(N-{[2'-(1-sodio-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoic acid
ナトリウム(2S)-3-メチル-2-(N-{[2'-(1-ソジオ-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}ペンタンアミド)ブタン酸
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： C24H28N5NaO3・Na
Molecular formula furigana： C24-H28-N5-NA-O3^NA
Molecular weight： 480.499
InChI：
InChI=1S/C24H29N5O3.2Na/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);;/q;2*+1/p-1/t22-;;/m0../s1
InChI key：
SJSMGDIQKOTNND-IKXQUJFKSA-M
SMILES：
C(=O)([C@H](C(C)C)N(Cc1ccc(cc1)c1c(cccc1)c1n(nnn1)[Na])C(=O)CCCC)O.[Na+]
Systematic name (3)：
- (2S)-3-メチル-2-[ペンタノイル[2′-(1-ソジオ-1H-テトラゾール-5-イル)-1,1′-ビフェニル-4-イルメチル]アミノ]ブタン酸ナトリウム
- ナトリウム(2S)-3-メチル-2-(N-{[2'-(1-ソジオ-1H-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}ペンタンアミド)ブタン酸
- sodium (2S)-3-methyl-2-(N-{[2'-(1-sodio-1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoic acid
- ナトリウム(2S)-3-メチル-2-(N-{[2'-(1-ソジオ-1,2,3,4-テトラゾール-5-イル)-[1,1'-ビフェニル]-4-イル]メチル}ペンタンアミド)ブタン酸
- sodium (2S)-3-methyl-2-(N-{[2'-(1-sodio-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoic acid
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