L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-

HCID 117439CAS 3978-80-1

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIKey: CNBUSIJNWNXLQQ-NSHDSACASA-N
분자식: C14H19NO5
평균 분자량: 281.3 g/mol
단동위원소 질량: 281.12632271

개요

N-Boc-L-tyrosine is a L-tyrosine derivative that is L-tyrosine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is a tert-butyl ester and a L-tyrosine derivative.

이름 및 식별자

우선 이름: L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-
IUPAC: (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

이름 및 동의어

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-L-Tyrosine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:798165L-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-Boc-Tyr-OH3978-80-1Boc-L-tyrosineN-Boc-L-tyrosineN-(tert-Butoxycarbonyl)-L-tyrosineN-(tert-Butyloxycarbonyl)-L-tyrosinMFCD00037179N-(TERT-BUTOXYCARBONYL)TYROSINE

이름 더 보기

N-tert-butoxycarbonyl-L-tyrosine(S)-2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidCHEMBL65386(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidN-[(1,1-DIMETHYLETHOXY)CARBONYL]-L-TYROSINE(TERT-BUTOXYCARBONYL)-L-TYROSINEM03338N-Boc-tyrosine

데이터베이스 식별자

CAS: 3978-80-1
PubChem CID: 117439
DTXSID: DTXSID101317235
ChEMBL: CHEMBL65386
ChEBI: CHEBI:231573
UNII: MZB5K4HG7T
EC Number: 223-613-7
Nikkaji: J217.809E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 20
형식 전하: 0
복잡도: 342

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Warning

H315 (62.5%): 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationL-Tyrosine, N-(1,1-dimethylethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (62.5%)