N-alpha-t-Butyloxycarbonyl-L-biphenylalanine (Boc-L-Bip-OH)

HCID 2761796

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 147923-08-8
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIKey: NBVVKAUSAGHTSU-KRWDZBQOSA-N
분자식: C20H23NO4
평균 분자량: 341.4 g/mol
단동위원소 질량: 341.16270822

이름 및 식별자

우선 이름: N-alpha-t-Butyloxycarbonyl-L-biphenylalanine (Boc-L-Bip-OH)
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
영어명: BOC-L-4,4'-BIPHENYLALANINE
분자식: C20H23NO4
분자량: 341.4

이름 및 동의어

N-alpha-t-Butyloxycarbonyl-L-biphenylalanine (Boc-L-Bip-OH)RefChem:829019979-741-5147923-08-8Boc-4-phenyl-Phe-OHBoc-L-4,4'-Biphenylalanine(S)-3-([1,1'-Biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acidN-Boc-4-phenyl-L-phenylalanineBoc-Bip-OHMFCD00191184(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acidBoc-Bip(4,4')-OH

이름 더 보기

4)-OH-Phe-OHBoc-Bip(4BOC-S-BIP-OHBOC-L-BIP-OHBoc-4-phenyLBOC-L-PHE(4-PH)

[1,1'-Biphenyl]-4-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-N-(tert-Butoxycarbonyl)-4-phenyl-L-phenylalanineBOC-P-PHENYL-L-PHENYLALANINEBOC-L-4,4'-BIPHENYLPHENYLALANINEBOC-4-BIPHENYL-L-ALABOC-L-BIP(4,4')-OHBOC-BPH-OH(2S)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(4-Phenylphenyl)Propanoic Acid

데이터베이스 식별자

CAS: 147923-08-8
PubChem CID: 2761796
DTXSID: DTXSID20375924
UNII: 36JTW265C6
EC Number: 979-741-5
Nikkaji: J1.178.193D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 25
형식 전하: 0
복잡도: 443

물리화학적 성질

녹는점: 103 · 103-107 °C(lit.)
끓는 점: 528.2 · 528.2±50.0 °C(Predicted)
밀도: 1.161 · 1.161±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.88 · 3.88±0.10(Predicted)
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: 1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKey: NBVVKAUSAGHTSU-KRWDZBQOSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c2ccccc2)C(O)=O