L-Isoleucine beta-naphthylamide

HCID 688499CAS 732-84-3

基本情報

標準SMILES: CC[C@H](C)[C@H](N)C(=O)Nc1ccc2ccccc2c1
InChIKey: CEZPKIGJZWWHJT-NHYWBVRUSA-N
分子式: C16H20N2O
平均分子量: 256.34 g/mol
単同位体質量: 256.15756326

概要

L-isoleucine 2-naphthylamide is an L-isoleucine derivative that is the amide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of 2-naphthylamine. It has a role as a chromogenic compound. It is an amino acid amide, a L-isoleucine derivative and a N-(2-naphthyl)carboxamide.

名称と識別子

優先名称: L-Isoleucine beta-naphthylamide
IUPAC: (2S,3S)-2-amino-3-methyl-N-naphthalen-2-ylpentanamide

名称と別名

L-Isoleucine beta-naphthylamide732-84-3H-ILE-BETANAL-Isoleucine |A-naphthylamide(2S,3S)-2-amino-3-methyl-N-naphthalen-2-ylpentanamideMFCD00055912L-isoleucine 2-naphthylamide(2S,3S)-2-Amino-3-methyl-N-(naphthalen-2-yl)pentanamide1570746-01-8N-naphthalen-2-yl-L-isoleucinamideH-Ile-bNAH-Ile-NA

名称をさらに表示

L-Ile-?NAL-Isoleucine ?-naphthylamideN-isoleucyl-2-aminonaphthaleneCHEBI:90473DTXSID30350904N-(2-naphthyl)-L-isoleucinamideN-(beta-naphthyl)-L-isoleucinamideAKOS010400943

データベース識別子

CAS: 732-84-3
PubChem CID: 688499
DTXSID: DTXSID30350904
ChEBI: CHEBI:90473
EC Number: 622-089-0

物性

構造計算による物性

XLogP: 3.2
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 305

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesCarc. 2 (97.5%)