CAS 73548-77-3 Boc-L-Lys(Z)-OMe (HCID 11132998)

기본 정보

CAS: 73548-77-3
표준 SMILES: COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
InChIKey: PUJVYJATJHQXRX-INIZCTEOSA-N
분자식: C20H30N2O6
평균 분자량: 394.5 g/mol
단동위원소 질량: 394.21038668

이름 및 식별자

우선 이름: Boc-L-Lys(Z)-OMe
IUPAC: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
영어명: N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine Methyl Ester
분자식: C20H30N2O6
분자량: 394.46

이름 및 동의어

BOC-L-LYS(Z)-OMEN2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine methyl esterN2-((1,1-Dimethylethoxy)carbonyl)-N6-((phenylmethoxy)carbonyl)-L-lysine methyl esterRefChem:569783881-544-373548-77-3Methyl N6-((benzyloxy)carbonyl)-N2-(tert-butoxycarbonyl)-L-lysinateMFCD03788041Boc-Lys(Z)-OMe(S)-Methyl 6-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)hexanoateL-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, methylestermethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

이름 더 보기

Nα-Boc-Nε-Z-L-lysine methyl esterN-Boc-N'-Cbz-L-methyl lysine esterN6-Cbz-N2-Boc-L-lysine Methyl Estermethyl6-N-benzyloxycarbonyl-2-N-Boc-lysinateN-alpha-Boc-Nepsilon-Z-L-lysine methyl estermethyl (2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}hexanoate

Boc-Lys(Cbz)-OMeBoc-L-Lys(Z)OMeNalpha-Boc-Nepsilon-Z-L-lysine methyl esterSCHEMBL2329143PUJVYJATJHQXRX-INIZCTEOSA-NDTXSID801128425Na-Boc-Ne-Z-L-lysine methyl esterAKOS037651340

데이터베이스 식별자

CAS: 73548-77-3
PubChem CID: 11132998
DTXSID: DTXSID801128425
EC Number: 881-544-3
Nikkaji: J733.933J

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 103 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 13
무거운 원자 수: 28
형식 전하: 0
복잡도: 497

물리화학적 성질

녹는점: 115 · 115-118 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
끓는 점: 544.7 · 544.7±50.0 °C(Predicted)
밀도: 1.13 · 1.130±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름, 디클로로메탄, DMSO, 에틸아세테이트에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 11.16 · 11.16±0.46(Predicted)
색상: 갈색

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine Methyl Ester is an intermediate in synthesizing Nε-(1-Carboxymethyl)-L-lysine (C180075), CEL and CML are two stable, nonenzymatic chemical modifications of protein lysine residues resulting from glycation and oxidation reactions.