CAS 119771-23-2 [(S)-3-(4-boronophenyl)-2-((tertbutoxycarbonyl)amino)propanoic acid] (HCID 58746869)

기본 정보

CAS: 119771-23-2
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O
InChIKey: SGRRXMOSJYUMBY-NSHDSACASA-N
분자식: C14H20BNO6
평균 분자량: 309.12 g/mol
단동위원소 질량: 309.1383675

이름 및 식별자

우선 이름: [(S)-3-(4-boronophenyl)-2-((tertbutoxycarbonyl)amino)propanoic acid]
IUPAC: (2S)-3-(4-boronophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명: (S)-3-(4-보로노페닐)-2-((tert-부톡시카르보닐)아미노)프로파노산
영어명: (S)-3-(4-boronophenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid
분자식: C14H20BNO6
분자량: 309.12

이름 및 동의어

119771-23-2[(S)-3-(4-boronophenyl)-2-((tertbutoxycarbonyl)amino)propanoic acid]((S)-3-(4-boronophenyl)-2-((tertbutoxycarbonyl)amino)propanoic acid)RefChem:390485813-282-2(S)-3-(4-Boronophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD01860642N-Boc-4-borono-L-phenylalanineL-PHENYLALANINE, 4-BORONO-N-[(1,1-DIMETHYLETHOXY)CARBONYL]-Boc-Phe{4-B(OH)2}-OHAC-31311(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

이름 더 보기

(S)-3-(4-보로노페닐)-2-((tert-부톡시카르보닐)아미노)프로파노산EOS-613144-Borono-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanineN-(tert-Butoxycarbonyl)-4-(dihydroxyboryl)-L-phenylalanineN-(tert-butoxycarbonyl)-4-(dihydroxyboryl)-1-phenylalanine(S)-3-(4-BORONOPHENYL)-2-(TERT-BUTOXYCARBONYL)PROPANOIC ACID(S)-3-(4-boronophenyl)-2-((tert-butoxycarbonyl)amino)propanoicacid(S)-3-(4-Boronophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid - [B91906]

물성

구조 계산 물성

극성 표면적: 116 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 22
형식 전하: 0
복잡도: 387

물리화학적 성질

밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.85 · 3.85±0.10(Predicted)

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.