N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine

HCID 100103CAS 71989-23-6

基本情報

標準SMILES: CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: QXVFEIPAZSXRGM-UHFFFAOYSA-N
分子式: C21H23NO4
平均分子量: 353.4 g/mol

名称と識別子

優先名称: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine
IUPAC: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid

名称と別名

EINECS 276-255-9NSC 334289RefChem:823141276-255-9N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-isoleucineN-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acid2250198-69-5Fmoc-D-Ile-OH2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidNSC-334289NSC334289

名称をさらに表示

N-alpha-Fmoc-L-isoleucineSCHEMBL1564185FDI-1856-PIFLI-1724-PI2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acid2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acidMFCD01101522AKOS001309880

データベース識別子

CAS: 71989-23-6
PubChem CID: 100103
EC Number: 276-255-9

物性

構造計算による物性

XLogP: 4.4
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 7
重原子数: 26
形式電荷: 0
複雑度: 486

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (20%)