N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester

HCID 7010613CAS 13512-31-7

기본 정보

표준 SMILES: COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
InChIKey: SLLMDHBKALJDBW-INIZCTEOSA-N
분자식: C18H19NO5
평균 분자량: 329.3 g/mol
단동위원소 질량: 329.12632271

이름 및 식별자

우선 이름: N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester
IUPAC: methyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
영어명: Z-Tyr-OMe
분자식: C18H19NO5
분자량: 329.35

이름 및 동의어

N-((Phenylmethoxy)carbonyl)-L-tyrosine methyl esterN-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl esterRefChem:823216z-tyr-ome13512-31-7N-Cbz-L-tyrosine methyl esterMFCD00038784methyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoateMethyl ((benzyloxy)carbonyl)-L-tyrosinateN-benzyloxycarbonyl-L-tyrosine methyl esterDTXSID30426678Z-L-Tyr-OMe

이름 더 보기

Z-L-TYROSINE METHYL ESTERCbz-L-Tyr-OMeZ-TYROSINE-OMEZ-TYR-OME USP/EP/BPCBZ-L-TYROSINE METHYL ESTERZ-L-tyrosine methyl ester99%

methyl(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoateCBZ-Tyr-OMeZ-Tyr-OCH3cbz-tyrosine methyl esterMETHYL (2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-(4-HYDROXYPHENYL)PROPANOATESCHEMBL2402461AKOS016842279

데이터베이스 식별자

CAS: 13512-31-7
PubChem CID: 7010613
DTXSID: DTXSID30426678
EC Number: 603-895-1
Nikkaji: J514.104D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 84.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 24
형식 전하: 0
복잡도: 400

물리화학적 성질

녹는점: 93 · 93-97 °C(lit.)
끓는 점: 528.1 · 528.1±50.0 °C(Predicted)
밀도: 1.249 · 1.249±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 9.75 · 9.75±0.15(Predicted)
물리적 상태: 고체

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26424

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 2922498590

화학 및 산업

응용 분야 · 1건

용도N-Cbz-L-tyrosine Methyl Ester is used in preparation of optically active Imidazolidione derivatives from N-Benzyloxycarbonyl-tyrosine Ester via Ethylation, reduction and successive treatment with Methanesulfonyl Chloride, Ethylenediamine and Lithium Hydroxide.