CAS 400779-65-9 Fmoc-N-Me-Aib-OH (HCID 4147680)

기본 정보

CAS: 400779-65-9
표준 SMILES: CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIKey: HFPNKXXPYGPHJQ-UHFFFAOYSA-N
분자식: C20H21NO4
평균 분자량: 339.4 g/mol
단동위원소 질량: 339.14705815

이름 및 식별자

우선 이름: Fmoc-N-Me-Aib-OH
IUPAC: 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-methylpropanoic acid
영어명: Fmoc-N-Me-Aib-OH
분자식: C20H21NO4
분자량: 339.39

이름 및 동의어

Fmoc-N-Me-Aib-OH400779-65-9N-Fmoc-alpha-(methylamino)isobutyric acidMFCD03095509N-Fmoc-N,2-dimethyl-DL-alanine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-2-methylpropanoic acid2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-methylpropanoic acidDTXSID70399913Z11237201172-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-2-methylpropanoic acidSCHEMBL118230SCHEMBL29709499

이름 더 보기

Fmoc-N,2-dimethylalanineFmoc-N-Methyl-Aminoisobutyric acidn-fmoc-α-(methylamino)isobutyric acid2-[Fmoc(methyl)amino]-2-methylpropanoic Acid(9H-Fluoren-9-yl)MethOxy]Carbonyl N-Me-Aib-OHN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N,2-dimethylalanineN-Fmoc-α-(methylamino)isobutyric acid, Fmoc-N,2-dimethylalanine

SCHEMBL29908653HFPNKXXPYGPHJQ-UHFFFAOYSA-NAlanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N,2-dimethyl-ARA77965Fmoc-N-Me-Aib-OH, >=96.0%AKOS0126143812-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL](METHYL)AMINO}-2-METHYLPROPANOIC ACIDAS-18967

데이터베이스 식별자

CAS: 400779-65-9
PubChem CID: 4147680
DTXSID: DTXSID70399913

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 25
형식 전하: 0
복잡도: 496

물리화학적 성질

끓는 점: 518.1 · 518.1±29.0 °C(Predicted)
밀도: 1.239 · 1.239±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.05 · 4.05±0.10(Predicted)
물리적 상태: solid
주요 응용: 펩타이드 합성
InChI: 1S/C20H21NO4/c1-20(2,18(22)23)21(3)19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,12H2,1-3H3,(H,22,23)
InChIKey: HFPNKXXPYGPHJQ-UHFFFAOYSA-N
SMILES: CN(C(=O)OCC1c2ccccc2-c3ccccc13)C(C)(C)C(O)=O