L-4-벤조일페닐알라닌

p-benzoyl-L-phenylalanine

HCID 7020128CAS 104504-45-2

기본 정보

표준 SMILES: N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIKey: TVIDEEHSOPHZBR-AWEZNQCLSA-N
분자식: C16H15NO3
평균 분자량: 269.29 g/mol
단동위원소 질량: 269.10519334

개요

4-benzoyl-L-phenylalanine is a L-phenylalanine derivative that is L-phenylalanine substituted by a benzoyl group at position 4 of the phenyl ring. It is a photoreactive unnatural amino acid that acts as a photo cross-linking probe when incorporated into proteins. It is a member of benzenes, an aromatic ketone and a L-phenylalanine derivative.

이름 및 식별자

우선 이름: p-benzoyl-L-phenylalanine
IUPAC: (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
현지명: L-4-벤조일페닐알라닌
영어명: L-4-Benzoylphenylalanine
분자식: C16H15NO3
분자량: 269.3

이름 및 동의어

104504-45-24-benzoyl-l-phenylalaninePara-(Benzoyl)-Phenylalaninep-benzoyl-l-phenylalanineL-Phenylalanine, 4-benzoyl-(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid9RU6KQ9WYDRefChem:169287L-4-Benzoylphenylalanine(S)-2-Amino-3-(4-benzoylphenyl)propanoic acid4-benzoylphenylalanineH-Bpa-OH

이름 더 보기

L-4-벤조일페닐알라닌H-PHE(4-BZ)-OHAl660-1H-4-Bz-Phe-Oh

H-p-Bz-Phe-OHMFCD00238102H-Bpa-OH H-Phe(4-Bz)-OHL-p-Benzoylphenylalanine4-(phenylcarbonyl)-L-phenylalanineH-L-Bpa-OH(2S)-2-Azaniumyl-3-(4-benzoylphenyl)propanoateL-Bpa-OH

데이터베이스 식별자

CAS: 104504-45-2
PubChem CID: 7020128
DTXSID: DTXSID20909021
ChEBI: CHEBI:44718
UNII: 9RU6KQ9WYD
EC Number: 811-535-1
Nikkaji: J632.372C

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 80.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 342

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 467.6 · 467.6±40.0 °C(Predicted)
밀도: 1.249 · 1.249±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMF: insol; DMSO: insol; Ethanol: insol; PBS (pH 7.2): insol
물리적 상태: 고체
산도 계수 (pKa): 2.16 · 2.16±0.10(Predicted)
색상: White to light yellow
InChI: InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKey: TVIDEEHSOPHZBR-AWEZNQCLSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N

화학적 성질

Off-white solid

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

HS 번호: 29225090
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도4-Benzoyl-L-phenylalanine is a photoreactive amino acid which can easily be incorporated into a peptide by solid-phase synthesis and finds application as phtolabel. It is an important raw material as well as an intermediate in organic synthesis.

상·하류 제품 정보

상류 원료

L-(-)-페닐알라닌 염화벤조일

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

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