Leucine, N-carboxy-, N-benzyl ester, L-

HCID 74840CAS 2018-66-8

기본 정보

표준 SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
분자식: C14H19NO4
평균 분자량: 265.3 g/mol
단동위원소 질량: 265.13140809

개요

N-benzyloxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a benzyloxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative. It is a conjugate acid of a N-benzyloxycarbonyl-L-leucinate.

이름 및 식별자

우선 이름: Leucine, N-carboxy-, N-benzyl ester, L-
IUPAC: (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
영어명: N-Cbz-L-Leucine
분자식: C14H19NO4
분자량: 265.3

이름 및 동의어

N-Benzyloxycarbonyl-L-leucineCarbobenzoxy-L-leucineN-Carbobenzoxy-L-leucineCarbobenzoxyleucineCarbobenzyloxy-L-leucineBenzyloxycarbonylleucineN-BenzyloxycarbonylleucineLeucine, N-carboxy-, N-benzyl ester, L-NSC 60039N-((Phenylmethoxy)carbonyl)-L-leucineN-[(phenylmethoxy)carbonyl]-L-leucineL-N-Carboxyleucine N-benzyl ester

이름 더 보기

CBZ-LEU-OHZ-LEU-OHZ-LEUCBZ-L-LEU-OHN-CARBOBENZYLOXY-L-LEUCINECbz-LeuZ-LEUCINEZ-L-LEU-OHZ-L-LEUCINE

EINECS 217-960-3BRN 1253861L-Leucine, N-((phenylmethoxy)carbonyl)-CHEBI:28282DTXSID801740113-06-00-01503 (Beilstein Handbook Reference)L-Leucine, N-[(phenylmethoxy)carbonyl]-RefChem:798977

데이터베이스 식별자

CAS: 2018-66-8
PubChem CID: 74840
DTXSID: DTXSID80174011
ChEBI: CHEBI:28282
UNII: P48HHX9XNP
EC Number: 217-960-3
Nikkaji: J71.248E

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 19
형식 전하: 0
복잡도: 298

물리화학적 성질

끓는 점: 408.52 °C · 408.52°C (rough estimate)
밀도: 1 g/mL · 1 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.512(lit.)
인화점: 85 °F · 85 °F
저장 조건: 2 · Sealed in dry,2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 점성 액체
산도 계수 (pKa): 4 · 4.00±0.21(Predicted)
색상: 무색~연황색
Specific Gravity: 1 · 1.0
수용성: 물에 용해되기 어렵거나 불가능함. 클로로포름, DMSO 및 메탄올에 용해됩니다.
BRN: 1253861 · 1253861
주요 응용: 펩타이드 합성
InChI: 1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey: USPFMEKVPDBMCG-LBPRGKRZSA-N
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(O)=O

화학적 성질

yellow oil or weak solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (20%)

안전 데이터

wgk: 3
rtecs: OH2921000
ridadr: UN 1993 3/PG 3
HS 번호: 29242990
risk_code: 10-20/22-37/38-40-41-36/37/38-20/21/22-67-63-19
hazard_code: Xn
safety_code: 16-26-36/37/39-45-36-36/37-60

화학 및 산업

응용 분야

용도Reactant for:Peptide-based preparation of potential antitumor agentsPreparation of cyclopropyl peptidomimeticsPeptide synthesis

상·하류 제품 정보

상류 원료

L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl- (9CI)L-Leucine,N-[(phenylmethoxy)carbonyl]-, 2-phenylhydrazide L-Leucine, N-[(phenylmethoxy)carbonyl]-, 1,1-dimethylethyl ester Carbobenzyloxyleucylleucinamide N-Cbz-D-Leucine L-알라닌아미드 Methyl L-leucinate hydrochloride 벤질-4,6-디메틸-피리미딘-2-티오포메이트 Z-Leu-OH dcha Z-Leu-Phe-NH2 H-Phe-NH2 Z-Leu-OMe

하류 제품

Z-Leu-ONp CALPEPTIN

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

추가 설명

정의ChEBI: A L-leucine derivative obtained by the substitution of a benzyloxycarbonyl group on the nitrogen atom.

연결된 노트

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