N5-benzyloxycarbonyl-L-ornithine

HCID 102969CAS 3304-51-6

基本情報

標準SMILES: NC(CCCNC(=O)OCc1ccccc1)C(=O)O
InChIKey: VULSXQYFUHKBAN-UHFFFAOYSA-N
分子式: C13H18N2O4
平均分子量: 266.29 g/mol

名称と識別子

優先名称: N5-benzyloxycarbonyl-L-ornithine
IUPAC: 2-amino-5-(phenylmethoxycarbonylamino)pentanoic acid

名称と別名

EINECS 221-980-8N5-Benzyloxycarbonyl-L-ornithineRefChem:365183221-980-83304-51-62-Amino-5-(((benzyloxy)carbonyl)amino)pentanoic acid2-amino-5-{[(benzyloxy)carbonyl]amino}pentanoic acidNd-Z-D-ornithineNd-Z-L-ornithineN\'-Cbz-L-ornithine2-amino-5-(phenylmethoxycarbonylamino)pentanoic acidSCHEMBL2037306

名称をさらに表示

DTXSID40954659VULSXQYFUHKBAN-UHFFFAOYSA-NAKOS016344821LS-14228DB-048322CS-0344529EN300-717778G87245

データベース識別子

CAS: 3304-51-6
PubChem CID: 102969
DTXSID: DTXSID40954659
EC Number: 221-980-8

物性

構造計算による物性

XLogP: -1.4
極性表面積: 102 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 19
形式電荷: 0
複雑度: 290

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): 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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.