2-TERT-부톡시카보닐아미노-3-(4-TERT-부톡시카보닐아미노-페닐)-프로피온산
2-Tert-butoxycarbonylamino-3-(4-tert-butoxycarbonylamino-phenyl)-propionic acid
기본 정보
- CAS
86937-77-1- 표준 SMILES
CC(C)(C)OC(=O)Nc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1- InChIKey
XDYRQXPKQWQRQK-UHFFFAOYSA-N- 분자식
- C19H28N2O6
- 평균 분자량
- 380.4 g/mol
- 단동위원소 질량
- 380.19473662
이름 및 식별자
- 우선 이름
- 2-Tert-butoxycarbonylamino-3-(4-tert-butoxycarbonylamino-phenyl)-propionic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
- 현지명
- 2-TERT-부톡시카보닐아미노-3-(4-TERT-부톡시카보닐아미노-페닐)-프로피온산
- 영어명
- 2-TERT-BUTOXYCARBONYLAMINO-3-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-PROPIONIC ACID
- 분자식
- C19H28N2O6
- 분자량
- 380.44
이름 및 동의어
86937-77-12-TERT-BUTOXYCARBONYLAMINO-3-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-PROPIONIC ACID2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acidN,N'-Bis-Boc4-Amino-L-phenylalanineSCHEMBL10890972DTXSID80585608XDYRQXPKQWQRQK-UHFFFAOYSA-N2-tert-butoxycarbonylamino-3-(4-tert-butoxycarbonylaminophenyl)Propanoic acid2-((tert-Butoxycarbonyl)amino)-3-(4-((tert-butoxycarbonyl)amino)phenyl)propanoic acidY13788N-(tert-Butoxycarbonyl)-4-[(tert-butoxycarbonyl)amino]phenylalanineN-tert-butoxycarbonyl-beta-(4-tert-butoxycarbonylaminophenyl)-D,L-alanine
이름 더 보기
2-TERT-부톡시카보닐아미노-3-(4-TERT-부톡시카보닐아미노-페닐)-프로피온산4-(Boc-amino)-N-Boc-DL-phenylalaninePhenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(1,1-dimethylethoxy)carbonyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]- DL-Phenylalanine
데이터베이스 식별자
- CAS
86937-77-1- PubChem CID
- 16244019
- DTXSID
DTXSID80585608
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 527
물리화학적 성질
- 끓는 점
- 503.3 · 503.3±50.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.91 · 3.91±0.10(Predicted)
관련 반응
1건
화합물 노트
불러오는 중…