L-Glutamine, N2-[(phenylmethoxy)carbonyl]-

HCID 75855CAS 2650-64-8

기본 정보

표준 SMILES: NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: JIMLDJNLXLMGLX-JTQLQIEISA-N
분자식: C13H16N2O5
평균 분자량: 280.28 g/mol
단동위원소 질량: 280.10592161

이름 및 식별자

우선 이름: L-Glutamine, N2-[(phenylmethoxy)carbonyl]-
IUPAC: (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
영어명: N-Carbobenzyloxy-L-glutamine
분자식: C13H16N2O5
분자량: 280.28

이름 및 동의어

2650-64-8N-Carbobenzoxy-L-glutamineBenzyloxycarbonyl-L-glutamineL-Glutamine, N2-[(phenylmethoxy)carbonyl]-Carbobenzoxy-L-glutamine(Benzyloxycarbonyl)glutamineN2-Carbobenzoxy-L-glutamineN2-Benzyloxycarbonyl-L-glutamineN(2)-Benzoxycarbonyl-L-glutamineGlutamine, N-(benzyloxy)carbonyl-NSC 186903Glutamine, N2-carboxy-, N2-benzyl ester, L-

이름 더 보기

Z-GLN-OHZ-GLNCBZ-GLNCBZ-L-GLNCBZ-GLN-OHZ-GLUTAMINECBZ-glutamineZ-L-GLUTAMINECBZ-L-GLUTAMINE

Nalpha-Benzyloxycarbonyl-L-glutamineEINECS 220-173-8N(alpha)-Benzyloxycarbonyl-L-glutamineN2-[(phenylmethoxy)carbonyl]-L-glutamineL-Glutamine, N2-((phenylmethoxy)carbonyl)-DTXSID50883880N2-((Phenylmethoxy)carbonyl)-L-glutamineRefChem:796332

데이터베이스 식별자

CAS: 2650-64-8
PubChem CID: 75855
DTXSID: DTXSID50883880
UNII: 9YP8EM9G6Z
EC Number: 220-173-8
Nikkaji: J80.537H

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 119 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 353

물리화학적 성질

녹는점: 134 · 134-138 °C(lit.)
끓는 점: 423 °C · 423°C (rough estimate)
밀도: 1.2419 · 1.2419 (rough estimate)
굴절률: 1.645 · 1.6450 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO, 에탄올, 메탄올 에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.82 · 3.82±0.10(Predicted)
색상: 하얀색
BRN: 2061271 · 2061271
주요 응용: 펩타이드 합성
InChI: 1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m0/s1
InChIKey: JIMLDJNLXLMGLX-JTQLQIEISA-N
SMILES: NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(O)=O
EPA: 2 · L-Glutamine, N2-[(phenylmethoxy)carbonyl]- (2650-64-8)

화학적 성질

N-Carbobenzyloxy-L-glutamine is white to off-white powder

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory InformationL-Glutamine, N2-(phenylmethoxy)carbonyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29242990
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Glutamine, N2-[(phenylmethoxy)carbonyl]-: INACTIVE

응용 분야 · 1건

용도N-Carbobenzyloxy-L-glutamine has use an anti-ulcer agent. Also an inhibitor for AHAS (Acetohydroxy Acid Synthase) an important enzyme which will affect how benign an environmental herbicid e is. Also used in the synthesis of neomycin B, an important HIV antiviral agent.