Chem
J-GLOBAL ID：202007011881956306
Nikkaji number：J3.745.312I
(2R,5R)-2-[(1S,2R)-2-アミノ-2-カルボキシ-1-ヒドロキシエチル]-5-[(2S)-2-カルボキシ-2-[(4-ヒドロキシフェニル)ホルムアミド]エチル]ピロリジン-2-カルボン酸
(2R,5R)-2-[(1S,2R)-2-アミノ-2-カルボキシ-1-ヒドロキシエチル]-5-[(2S)-2-カルボキシ-2-[(4-ヒドロキシフェニル)ホルムアミド]エチル]ピロリジン-2-カルボン酸
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： C18H23N3O9
Molecular formula furigana： C18-H23-N3-O9
Molecular weight： 425.394
InChI：
InChI=1S/C18H23N3O9/c19-12(16(27)28)13(23)18(17(29)30)6-5-9(21-18)7-11(15(25)26)20-14(24)8-1-3-10(22)4-2-8/h1-4,9,11-13,21-23H,5-7,19H2,(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t9-,11+,12-,13+,18-/m1/s1
InChI key：
COYRFCFCDMEIDM-VCWBYMIZSA-N
SMILES：
N1[C@@](CC[C@@H]1C[C@H](NC(=O)c1ccc(cc1)O)C(=O)O)(C(=O)O)[C@H]([C@H](C(=O)O)N)O
Systematic name (2)：
- (2R,5R)-2-[(1S,2R)-2-アミノ-2-カルボキシ-1-ヒドロキシエチル]-5-[(2S)-2-カルボキシ-2-[(4-ヒドロキシフェニル)ホルムアミド]エチル]ピロリジン-2-カルボン酸
- (2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-[(2S)-2-carboxy-2-[(4-hydroxyphenyl)formamido]ethyl]pyrrolidine-2-carboxylic acid
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