기본 정보
- 표준 SMILES
COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)OC(C)(C)C- InChIKey
WHGRXJGDURXZBN-UHFFFAOYSA-N- 분자식
- C24H24Cl2N2O4
- 평균 분자량
- 475.4 g/mol
- 단동위원소 질량
- 474.1113126
개요
Methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate is a non-proteinogenic amino acid derivative that is methyl alaninate substituted by a tert-butoxycarbonyl group the primary amino group and by a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3. It is a carbamate ester, a dichlorobenzene, a methyl ester, a member of quinolines and a non-proteinogenic amino acid derivative. It contains a tert-butoxycarbonyl group.
이름 및 식별자
- 우선 이름
- methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
- IUPAC
- methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
이름 및 동의어
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninateMethyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate623144-13-8SCHEMBL3320795CHEBI:48491WHGRXJGDURXZBN-UHFFFAOYSA-Nmethyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoateDA-41925Q271212402-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoatemethyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
데이터베이스 식별자
- PubChem CID
- 11248518
- ChEBI
CHEBI:48491
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 646
관련 반응
3건
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