N-tert-Butoxycarbonyl-L-tryptophan

HCID 83169CAS 13139-14-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey: NFVNYBJCJGKVQK-ZDUSSCGKSA-N
分子式: C16H20N2O4
平均分子量: 304.34 g/mol
単同位体質量: 304.14230712

概要

N-[(Tert-butoxy)carbonyl]-L-tryptophan is an indolyl carboxylic acid.

名称と識別子

優先名称: N-tert-Butoxycarbonyl-L-tryptophan
IUPAC: (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

名称と別名

13139-14-5L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-tert-ButyloxycarbonyltryptophanN-tert-Butoxycarbonyl-L-tryptophanDTXSID20884506L-Tryptophan, N-((1,1-dimethylethoxy)carbonyl)-BOC-TRYPTOPHANRefChem:798156DTXCID201023942236-072-7Boc-Trp-OHBoc-L-Trp-OH

名称をさらに表示

BOC-L-tryptophanN-[(tert-Butoxy)carbonyl]-L-tryptophanN-(tert-Butoxycarbonyl)-L-tryptophanMFCD00065595(S)-2-((tert-Butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanoic acid(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidNSC 334306CHEMBL65709

データベース識別子

CAS: 13139-14-5
PubChem CID: 83169
DTXSID: DTXSID20884506
ChEMBL: CHEMBL65709
ChEBI: CHEBI:183830
EC Number: 236-072-7
Nikkaji: J317.828E

物性

構造計算による物性

XLogP: 2
極性表面積: 91.4 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 22
形式電荷: 0
複雑度: 419

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.