benzyloxycarbonyl-L-tryptophan

HCID 101176CAS 7432-21-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1
InChIKey: AHYFYYVVAXRMKB-KRWDZBQOSA-N
분자식: C19H18N2O4
평균 분자량: 338.4 g/mol
단동위원소 질량: 338.12665706

개요

receptor antagonist for peptides from gastrin family; RN given refers to (L)-isomer

이름 및 식별자

우선 이름: benzyloxycarbonyl-L-tryptophan
IUPAC: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
영어명: N-Cbz-L-Tryptophan
분자식: C19H18N2O4
분자량: 338.36

이름 및 동의어

7432-21-5BenzyloxycarbonyltryptophanDTXSID00225332z-tryptophanRefChem:829274DTXCID00147823BENZYLOXYCARBONYL-L-TRYPTOPHAN231-074-4Z-Trp-OHN-Cbz-L-tryptophanNalpha-Cbz-L-tryptophanCbz-L-Trp-OH

이름 더 보기

Z-TrpCbz-L-Try-OHN-CARBOBENZOXY-L-TRYPTOPHANCbz-TrpZ-L-TRP-OHNSC 521831

L-Tryptophan, N-[(phenylmethoxy)carbonyl]-Na-Cbz-L-tryptophanMFCD00065700N-CBZ-tryptophaneN-Benzyloxycarbonyl-L-tryptophan(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoic acidCBZ-TRP-OHNalpha-benzyloxycarbonyl-L-tryptophan

데이터베이스 식별자

CAS: 7432-21-5
PubChem CID: 101176
DTXSID: DTXSID00225332
ChEMBL: CHEMBL291603
EC Number: 231-074-4
Nikkaji: J81.395H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 91.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 25
형식 전하: 0
복잡도: 464

물리화학적 성질

녹는점: 124 · 124-127 °C(lit.)
끓는 점: 474.51 °C · 474.51°C (rough estimate)
밀도: 1.2855 · 1.2855 (rough estimate)
굴절률: 1.614 · 1.6140 (estimate)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
산도 계수 (pKa): 3.98 · 3.98±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색
BRN: 96743 · 96743

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (50%): 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 22-24/25-36-26

화학 및 산업

응용 분야 · 1건

용도Nα-Cbz-L-tryptophan is an N-Cbz-protected form of L-Tryptophan (T947210). L-Tryptophan is an essential amino acid that is important for cell proliferation and the biosynthesis of proteins. It is a precursor to Serotonin (HCl: S274980), a neurotransmitter that compound that aids in sleep and mental state. L-Tryptophan is also thought to cause eosinophilia-myalgia syndrome.