Fmoc-phenylalanine

HCID 978331CAS 35661-40-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIKey: SJVFAHZPLIXNDH-QFIPXVFZSA-N
분자식: C24H21NO4
평균 분자량: 387.4 g/mol

개요

See other relationships...

이름 및 식별자

우선 이름: Fmoc-phenylalanine
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
영어명: Fmoc-Phe-OH
분자식: C24H21NO4
분자량: 387.43

이름 및 동의어

FMOC-PHEFMOC-PHENYLALANINERefChem:599550fluorenylmethoxycarbonyl-conjugated phenylalanineFmoc-Phe-OHFmoc-L-phenylalanine35661-40-6Fmoc-L-Phe-OHN-Fmoc-L-phenylalanine286460-71-7MFCD00037128N-(9-Fluorenylmethoxycarbonyl)-L-phenylalanine

이름 더 보기

Fmoc-Phenylalanine-OH(S)-2-((((9H-fluoren-9-yl)Methoxy)carbonyl)aMino)-3-phenylpropanoic acid

(((9H-fluoren-9-yl)methoxy)carbonyl)-L-phenylalanineFMOC-L-PHEN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-phenylalanineCHEMBL357583(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propanoic acidM03370L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

데이터베이스 식별자

CAS: 35661-40-6
PubChem CID: 978331
ChEMBL: CHEMBL357583
UNII: UTY9NU6ZEU
Nikkaji: J256.551J

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 551

물리화학적 성질

녹는점: 180 · 180-187 °C(lit.)
끓는 점: 513.39 °C · 513.39°C (rough estimate)
밀도: 1.2379 · 1.2379 (rough estimate)
굴절률: -39.5 ° · -39.5 ° (C=1, DMF)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMF(소량으로 용해, 초음파 처리), DMSO(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): 3.77 · 3.77±0.10(Predicted)
색상: 하얀색
BRN: 3597808 · 3597808
주요 응용: 펩타이드 합성
InChI: InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKey: SJVFAHZPLIXNDH-QFIPXVFZSA-N
SMILES: C(O)(=O)[C@H](CC1=CC=CC=C1)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

화학적 성질

white to light yellow crystal powde

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2924 29 70
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(Fmoc-Phe-OH) L-Phenylalanine (P319415) derivative, used in the preparation of peptides and deltorphin derivatives. A potential inhibitor of IGF-I and IGF-Binding Protein-5 complex.

일반 설명Fmoc-Phe-OH is highly hydrophobic and dissolves easily in DMF and NMP. A photoresponsive hydrogel can be easily created by co-assembling Fmoc-Phe-OH and Azp without the need for chemical synthesis.