N-Cbz-d-alanine

HCID 70832CAS 26607-51-2

기본 정보

표준 SMILES: C[C@@H](NC(=O)OCc1ccccc1)C(=O)O
InChIKey: TYRGLVWXHJRKMT-MRVPVSSYSA-N
분자식: C11H13NO4
평균 분자량: 223.22 g/mol
단동위원소 질량: 223.0844579

이름 및 식별자

우선 이름: N-Cbz-d-alanine
IUPAC: (2R)-2-(phenylmethoxycarbonylamino)propanoic acid
영어명: N-Cbz-D-Alanine
분자식: C11H13NO4
분자량: 223.23

이름 및 동의어

N-Cbz-d-alanine26607-51-2Z-D-Ala-OHZ-D-alanineD-ALANINE, N-[(PHENYLMETHOXY)CARBONYL]-(2R)-2-(phenylmethoxycarbonylamino)propanoic acid(R)-2-(((Benzyloxy)carbonyl)amino)propanoic acidMFCD00063126Cbz-D-Ala-OH(2R)-2-{[(benzyloxy)carbonyl]amino}propanoic acidN-Carbobenzyloxy-d-alanineN-Benzyloxycarbonyl-D-alanine

이름 더 보기

CBZ-D-AlaCBZ-D-ALANINEN-CBZ-D-ALA

((Benzyloxy)carbonyl)-D-alanineM06221N-Carbobenzoxy-D-alanineCBZ-ALA-OHN-[(Benzyloxy)carbonyl]alanine #N-(benzyloxycarbonyl)-D-alanineBENZYLOXYCARBONYL-D-ALANINEZ-D-Ala

데이터베이스 식별자

CAS: 26607-51-2
PubChem CID: 70832
ChEMBL: CHEMBL367937
EC Number: 688-913-6
Nikkaji: J208.194F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 83 · 83-84°C
끓는 점: 422.1 · 422.1±38.0 °C(Predicted)
밀도: 1.246 · 1.246±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: 결정성 분말
산도 계수 (pKa): 4 · 4.00±0.10(Predicted)
색상: 흰색에서 황백색까지
BRN: 2056163 · 2056163
InChI: InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey: TYRGLVWXHJRKMT-MRVPVSSYSA-N
SMILES: C(O)(=O)[C@@H](C)NC(OCC1=CC=CC=C1)=O

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
HS 번호: 29224999
safety_code: 22-24/25

화학 및 산업

응용 분야 · 1건

용도N-Cbz-D-alanine is the Cbz-protected form of D-Alanine (A480995). D-Alanine is an amino acid that is commonly found in bacteria, such as Streptococcus faecalis. It is essential for the biosynthesis of peptidoglycan crosslinking sub-units that are used for bacterial cell walls. D-Alanine is also known to cause cytotoxic oxidative stress in brain tumour cells.

상·하류 제품 정보

상류 원료

하류 제품

Carbamic acid, N-[(1R)-3-bromo-1-methyl-2-oxopropyl]-, phenylmethyl ester Z-D-Ala-Gly-OH

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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