(2S)-4-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid

HCID 768170CAS 1220-80-0

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1
InChIKey: DNBHSCLUHQKGMD-LBPRGKRZSA-N
分子式: C13H19NO4S
平均分子量: 285.36 g/mol
単同位体質量: 285.10347909

名称と識別子

優先名称: (2S)-4-methyl-2-(4-methylbenzenesulfonamido)pentanoic acid
IUPAC: (2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid

名称と別名

(2S)-4-methyl-2-(4-methylbenzenesulfonamido)pentanoic acidRefChem:398636959-785-11220-80-0(S)-4-Methyl-2-(4-methylphenylsulfonamido)pentanoic acid(2S)-4-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoic acidL-Leucine, N-[(4-methylphenyl)sulfonyl]-(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acidtosylleucineTs-LeuN-Ts-Leu-OHSCHEMBL3969625

名称をさらに表示

N-p-toluenesulfonyl-(L)-leucineDNBHSCLUHQKGMD-LBPRGKRZSA-NDTXSID801365378HTS25929AKOS010401193ST50444898EN300-05049G54890

データベース識別子

CAS: 1220-80-0
PubChem CID: 768170
DTXSID: DTXSID801365378
EC Number: 959-785-1
Nikkaji: J976.669C

物性

構造計算による物性

XLogP: 2.6
極性表面積: 91.9 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: 6
重原子数: 19
形式電荷: 0
複雑度: 391

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.