기본 정보
- 표준 SMILES
CC(C)N(C[C@@H](C(=O)O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C- InChIKey
GQWRBNJRKSPGTF-CQSZACIVSA-N- 분자식
- C17H24ClNO4
- 평균 분자량
- 341.8 g/mol
이름 및 식별자
- 우선 이름
- (2S)-3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid
- IUPAC
- (2S)-2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid
이름 및 동의어
1001179-33-4(2S)-3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propanoic acidMFCD29048717(2S)-2-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoic acid(2S)-3-[t-Butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(2S)-3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid(S)-3-[Boc(isopropyl)amino]-2-(4-chlorophenyl)propanoic AcidSCHEMBL191130SCHEMBL30571417GQWRBNJRKSPGTF-CQSZACIVSA-NAS-76877
이름 더 보기
SY272631CS-0183816F624917(2S)-3-[Boc-(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid(S)-3-((tert-butoxycarbonyl)(isopropyl)amino)-2-(4-chlorophenyl)propanoicacid(S)-3-((tert-butoxycarbonyl)isopropylamino)-2-(4-chlorophenyl)propanoic acid(S)-3-(tert -butoxycarbonyl(isopropyl)amino)-2-(4-chlorophenyl)propanoic acid(S)-3-(tert-butoxycarbonyl(isopropyl)amino) -2-(4-chlorophenyl)propanoic acid
데이터베이스 식별자
- PubChem CID
- 59564929
- Nikkaji
- J3.714.846F
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 411
관련 반응
35건
화합물 노트
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