1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

HCID 391517CAS 13504-85-3

基本情報

標準SMILES: O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1
InChIKey: WWVCWLBEARZMAH-MNOVXSKESA-N
分子式: C13H15NO5
平均分子量: 265.26 g/mol

名称と識別子

優先名称: 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
IUPAC: (2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

名称と別名

13504-85-3RefChem:2269301-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylateZ-Hyp-OHN-Cbz-Hydroxy-L-prolineMFCD00037329Cbz-Hyp-OH(2S,4R)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid(2S,4R)-1-[(benzyloxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acidN-Cbz-trans-4-hydroxy-L-prolineNSC690765Z-L-HYP-OH

名称をさらに表示

(4r)-1-[(benzyloxy)carbonyl]-4-hydroxy-l-proline(2S,4R)-4-Hydroxy-1,2-pyrrolidinedicarboxylic Acid 1-Benzyl EsterN-Carbobenzoxy-allo-4-hydroxyprolineAB05440CBZ hydroxyprolinetrans-N-Carbobenzoxy-4-hydroxy-L-prolineN-cbz-hydroxyproline(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

データベース識別子

CAS: 13504-85-3
PubChem CID: 391517
ChEMBL: CHEMBL1993981
EC Number: 236-831-2
Nikkaji: J241.156C

物性

構造計算による物性

XLogP: 0.8
極性表面積: 87.1 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 340

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.