(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid

HCID 978328CAS 84000-11-3

기본 정보

표준 SMILES: CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: YCXXXPZNQXXRIG-IBGZPJMESA-N
분자식: C21H23NO4
평균 분자량: 353.4 g/mol
단동위원소 질량: 353.16270822

이름 및 식별자

우선 이름: (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
IUPAC: (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
영어명: Fmoc-N-Me-Val-OH
분자식: C21H23NO4
분자량: 353.41

이름 및 동의어

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-methylbutanoic acidN-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acidN-((9H-Fluoren-9-ylmethoxy)carbonyl)-N-methyl-L-valineRefChem:397879807-805-3Fmoc-N-Me-Val-OH84000-11-3Fmoc-N-methyl-L-valineFmoc-MeVal-OHMFCD00153395N-Fmoc-N-methyl-L-valine

이름 더 보기

Fmoc-NaLFMOC-N-ALPHA-METHYL-L-VALINEFMOC-L-MEVAL-OHFMOC-N-ME-VALINEFMOC-N-ME-VAL 98.5+%

(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acidN-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-methyl-L-valineM03379AS-19173Fmoc-N-Me-L-Val-OHN-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N-methyl-L-valine(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methyl-butanoic acid

데이터베이스 식별자

CAS: 84000-11-3
PubChem CID: 978328
DTXSID: DTXSID30359654
EC Number: 807-805-3
Nikkaji: J1.753.291J

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 498

물리화학적 성질

녹는점: 187 · 187-190 °C
끓는 점: 527.6 · 527.6±29.0 °C(Predicted)
밀도: 1.214 · 1.214±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 3.92 · 3.92±0.10(Predicted)
물리적 상태: 가루
색상: 하얀색
수용성: 물과 디메틸 포름아미드에 약간 용해됩니다.
BRN: 4560212 · 4560212
주요 응용: 펩타이드 합성
InChI: InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1
InChIKey: YCXXXPZNQXXRIG-IBGZPJMESA-N
SMILES: C(O)(=O)[C@H](C(C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 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 (33.3%)

안전 데이터

wgk: 3
HS 번호: 2924297099
safety_code: 22-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도N-Fmoc-N-methyl-L-valine (Fmoc-N-Me-Val-OH) is used as enzyme substrates and reagents, culture media additives, dyes, stains and indicators. It is also involved in the preparation of N-methylated peptides.

일반 설명Fmoc-N-Me-Val-OH is a modified peptide. It is provided as a white powder with a molecular formula of C21H23NO4 and a molecular weight of 353.41. This compound is indispensable in peptide and peptidomimetic synthesis applications within the pharmaceutical, biotechnology and chemical sectors.