Chem
J-GLOBAL ID：202007006650623157
Nikkaji number：J3.745.307B
(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-[2-[(3,5-ジクロロ-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-[2-[(3,5-ジクロロ-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： C17H21Cl2N3O7
Molecular formula furigana： C17-H21-CL2-N3-O7
Molecular weight： 450.270
InChI：
InChI=1S/C17H21Cl2N3O7/c18-9-5-7(6-10(19)12(9)23)14(25)21-4-2-8-1-3-17(22-8,16(28)29)13(24)11(20)15(26)27/h5-6,8,11,13,22-24H,1-4,20H2,(H,21,25)(H,26,27)(H,28,29)/t8-,11-,13+,17-/m1/s1
InChI key：
NOAHQELKPNVADO-FXNBDJQKSA-N
SMILES：
N1[C@@](CC[C@@H]1CCNC(=O)c1cc(c(c(c1)Cl)O)Cl)(C(=O)O)[C@H]([C@H](C(=O)O)N)O
Systematic name (3)：
- (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-[2-[(3,5-ジクロロ-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-{2-[(3,5-ジクロロ-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-{2-[(3,5-dichloro-4-hydroxyphenyl)formamido]ethyl}pyrrolidine-2-carboxylic acid
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