L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-

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기본 정보

CAS: 13139-15-6
표준 SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

개요

N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.

이름 및 식별자

우선 이름: L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
IUPAC: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
영어명: BOC-L-Leucine
분자식: C11H21NO4
분자량: 231.29

이름 및 동의어

tert-Butoxycarbonyl-L-leucineN-tert-ButoxycarbonylleucineN-tert-Butyloxycarbonyl-L-leucinetert-Butyloxycarbonyl-L-leucinetert-ButyloxycarbonylleucineNSC 108690L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-((1,1-Dimethylethoxy)carbonyl)-L-leucineN-[(1,1-Dimethylethoxy)carbonyl]-L-leucineLeucine, N-carboxy-, N-tert-butyl ester, L-EINECS 236-073-2Boc-Leu-OH monohydrate

이름 더 보기

BOC-LEU-OHBOC-LEUBOC-L-LEU-OHN-Boc-L-leucineBOC-L-LeuBOC-LEU-OH·H2ON-TERT-BUTOXYCARBONYL-L-LEUCINEn-[(1,1-dimethylethoxy)carbonyl]-l-leucinBoc-Leu-OH·H

DTXSID80884507L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:796793DTXCID901023943Leucine, N-carboxy-, N-tert-butyl ester, L-(8CI)236-073-213139-15-6Boc-L-leucine

데이터베이스 식별자

CAS: 13139-15-6
PubChem CID: 83170
DTXSID: DTXSID80884507
ChEMBL: CHEMBL1222009
ChEBI: CHEBI:28702
EC Number: 236-073-2
Nikkaji: J184.523C

물성

구조 계산 물성보충 중

XLogP: 2.2
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 85 · 85-87 °C
끓는 점: 356 · 356.0±25.0 °C(Predicted)
밀도: 1.061 · 1.061±0.06 g/cm3(Predicted)
굴절률: -25 ° · -25 ° (C=2, AcOH)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
산도 계수 (pKa): 4.02 · 4.02±0.21(Predicted)
물리적 상태: 가루
색상: 하얀색
BRN: 1711814 · 1711814
InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey: URQQEIOTRWJXBA-QRPNPIFTSA-N
SMILES: C(O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O
EPA: L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]- (13139-15-6)

화학적 성질

White Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): 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 5 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 (20%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29241990
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
safety_code: 26-36

화학 및 산업

용도 및 제조

General Manufacturing InformationL-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-: ACTIVE

응용 분야

용도Protected amino acid with antimicrobial activity.

상·하류 제품 정보

하류 제품

BOC-LEU-클로로메틸케톤 Boc-Leu-OSu Cetrorelix 물질P(6-11)(4S)-4-Amino-2,6-dimethyl-1-hepten-3-one 2,2,2-Trifluoroacetate Boc-Leu-(R)-Val-OH

추가 설명

정의ChEBI: BOC-L-Leucine， also called N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13139-15-6
표준 SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

개요

N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.