(2S)-2-(((tert-butoxy)carbonyl)amino)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid

HCID 7019527

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122235-70-5
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: MVWPBNQGEGBGRF-IBGZPJMESA-N
분자식: C23H26N2O6
평균 분자량: 426.5 g/mol
단동위원소 질량: 426.17908655

이름 및 식별자

우선 이름: (2S)-2-(((tert-butoxy)carbonyl)amino)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acid
IUPAC: (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: Boc-Dap(Fmoc)-OH
분자식: C23H26N2O6
분자량: 426.46

이름 및 동의어

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid(2S)-2-(((tert-butoxy)carbonyl)amino)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic acidRefChem:397969895-826-9Boc-Dap(Fmoc)-OH122235-70-5(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00235897(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidL-Alanine, N-[(1,1-Dimethylethoxy)Carbonyl]-3-[[(9H-Fluoren-9-Ylmethoxy)Carbonyl]Amino]-SCHEMBL999883N-[(1,1-dimethylethoxy)carbonyl]-3-[(9H-fluoren-9-ylmethoxy)carbonyl]amino-L-alanine

이름 더 보기

Boc-Dap(Fmoc)BOC-DPR(FMOC)-OHBoc-Dapa(FMoc)-OHBOC-L-DPA(FMOC)-OHBOC-L-DAP(FMOC)-OHBOC-L-DAPA(FMOC)-OHRARECHEM EM WB 0106BOC-3-(FMOC-AMINO)-L-ALANINE

Boc-L-2,3-Diaminopropionic acid(Fmoc)SCHEMBL29402190SCHEMBL30757738DTXSID20427134MVWPBNQGEGBGRF-IBGZPJMESA-NAKOS016842389CS-W009385(2S)-2-(tert-butoxycarbonylamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

데이터베이스 식별자

CAS: 122235-70-5
PubChem CID: 7019527
DTXSID: DTXSID20427134
EC Number: 895-826-9
Nikkaji: J1.401.634A

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 114 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 31
형식 전하: 0
복잡도: 639

물리화학적 성질

녹는점: 81 · 81-89° (dec.)
끓는 점: 652.5 · 652.5±55.0 °C(Predicted)
밀도: 1.263 · 1.263±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 2 ml · 2ml 디메틸 포름아미드 0.3gram에 용해됩니다.
물리적 상태: solid
산도 계수 (pKa): 3 · 3+-.0.10(Predicted)
BRN: 4771385 · 4771385
주요 응용: 펩타이드 합성
InChIKey: MVWPBNQGEGBGRF-IBGZPJMESA-N
SMILES: C(O)(=O)[C@H](CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)NC(OC(C)(C)C)=O

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.