Boc-dap(Z)-OH

HCID 2755950CAS 65710-57-8

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)O
InChIKey: QKMSMVGTLTVHLK-LBPRGKRZSA-N
분자식: C16H22N2O6
평균 분자량: 338.36 g/mol
단동위원소 질량: 338.14778642

이름 및 식별자

우선 이름: Boc-dap(Z)-OH
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid
영어명: BOC-DAP(Z)-OH
분자식: C16H22N2O6
분자량: 338.36

이름 및 동의어

65710-57-8BOC-DAP(Z)-OHBoc-N3-Cbz- L-2,3-diaminopropionic acidBoc-Dap(Cbz)-OHMFCD08275856(S)-3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoic acid(2S)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}propanoic acid(S)-2-[(tert-Butoxycarbonyl)amino]-3-(benzyloxycarbonylamino)propionic acid(2S)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)propanoic acid(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid(S)-2-(N-BOC-AMINO)-3-(N-CBZ-AMINO)PROPIONIC ACID(S)-3-Benzyloxycarbonylamino-2-(Boc-amino)propionic acid

이름 더 보기

Boc-L-Dap(Z)-OHBoc-Dap(Cbz)BOC-DAP(Z)-OH USP/EP/BP(Tert-Butoxy)Carbonyl Dap(Z)-OHN2-Boc-N3-Cbz-L-2,3-diaminopropionic acid(S)-3-CBZ-AMINO-2-BOC-AMINO PROPIONIC ACID

Boc-Dap (Z)-OHSCHEMBL1022494(S)-2-(N-BOC-AMINODTXSID00984255QKMSMVGTLTVHLK-LBPRGKRZSA-NAKOS005146393AKOS007930331AC-5656

데이터베이스 식별자

CAS: 65710-57-8
PubChem CID: 2755950
DTXSID: DTXSID00984255
Nikkaji: J1.784.975A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 114 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 24
형식 전하: 0
복잡도: 440

물리화학적 성질

녹는점: 47 · 47-49 °C(Solvent: Dichloromethane)
끓는 점: 548.7 · 548.7±50.0 °C(Predicted)
밀도: 1.235 · 1.235
저장 조건: 2 · 2-8°C
물리적 상태: Solid
산도 계수 (pKa): 3.68 · 3.68±0.10(Predicted)
색상: White to off-white
InChI: InChI=1S/C16H22N2O6/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t12-/m0/s1
InChIKey: QKMSMVGTLTVHLK-LBPRGKRZSA-N
SMILES: C(O)(=O)[C@H](CNC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O