기본 정보
- CAS
53363-89-6- 표준 SMILES
CC(C)C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C- InChIKey
YXJFAOXATCRIKU-VIFPVBQESA-N- 분자식
- C12H23NO4
- 평균 분자량
- 245.32 g/mol
- 단동위원소 질량
- 245.16270821
이름 및 식별자
- 우선 이름
- (2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid
- IUPAC
- (2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
- 영어명
- Boc-N-methyl-L-leucine
- 분자식
- C12H23NO4
- 분자량
- 245.32
이름 및 동의어
(2S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4-methylpentanoic acid(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)-4-methylpentanoic acidRefChem:397955834-864-2Boc-N-Me-Leu-OH53363-89-6Boc-N-methyl-L-leucineBoc-MeLeu-OHL-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-MFCD00038522N-(tert-butoxycarbonyl)-N-methyl-L-leucineN-boc-N-methyl-d-leucine
이름 더 보기
Tyr(Me)BOC-LEU(ME)-OHBOC-L-MELEU-OHBOC-ALA(TBU)-OHBoc-N-Me-Leu-0HBOC-N-ME-LEUCINE
(2S)-2-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoic acidBoc-Nalpha-methyl-L-leucineBoc-N-Me-L-Leu-OHBocMeLeuOH(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidN-Boc-N-methylleucineBoc-(Neopentyl)gly-OHN-Methyl-N-Boc-L-Leucine
데이터베이스 식별자
- CAS
53363-89-6- PubChem CID
- 7010555
- ChEMBL
CHEMBL5307058
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 281
물리화학적 성질
- 녹는점
- 55 · 55-60 °C
- 끓는 점
- 338.2 · 338.2±21.0 °C(Predicted)
- 밀도
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 4.04 · 4.04±0.21(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- BRN
- 2373250 · 2373250
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t9-/m0/s1
- InChIKey
- YXJFAOXATCRIKU-VIFPVBQESA-N
- SMILES
- C(O)(=O)[C@H](CC(C)C)N(C(OC(C)(C)C)=O)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2924 19 00
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Boc-N-methyl-L-leucine is the BOC (tert-butyloxycarbonyl) protected N-methylated leucine. The N-methylated amino acid is quite useful in the peptide synthesis, giving a lot of improved properties to peptide. Studies have shown that peptide containing N-methylated amino acids obtain increased proteolytic stability, increased membrane permeability, and altered conformation. The effects of N-methylated amino acids are quite important in the development of therapeutic peptide compound as well as in the assay of biological activity of some modified peptides. BOC group can be easily removed by treatment with strong acids such as trifluoroacetic acid.
상·하류 제품 정보
상류 원료
공급사100 곳
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