기본 정보
- 표준 SMILES
CC(OC(=O)C(C)(C)C)OC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
IFDYIWPAJKYNTO-LKDXBUKQSA-N- 분자식
- C17H25NO6
- 평균 분자량
- 339.4 g/mol
- 단동위원소 질량
- 339.16818752
개요
prodrug of methyldopa; RN given refers to parent cpd; structure given in first source
이름 및 식별자
- 우선 이름
- 3-Hydroxy-alpha-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester
- IUPAC
- 1-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]oxyethyl 2,2-dimethylpropanoate
- 현지명
- 1-(2,2-디메틸프로피오닐옥시)에틸3-히드록시-알파-메틸-L-티로시네이트
- 영어명
- 1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-alpha-methyl-L-tyrosinate
- 분자식
- C17H25NO6
- 분자량
- 339.3835
이름 및 동의어
Methyldopa pivaloyloxyethyl ester81660-38-0WBI8SO7K59DTXSID301002119L-Tyrosine, 3-hydroxy-alpha-methyl-, 1-(2,2-dimethyl-1-oxopropoxy)ethyl esterPOE methyldopaRefChem:911385pivaloyloxyethyl methyldopa esterDTXCID7014290583-Hydroxy-alpha-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester279-793-2EINECS 279-793-2
이름 더 보기
1-(2,2-디메틸프로피오닐옥시)에틸3-히드록시-알파-메틸-L-티로시네이트α-methyldopa pivaloylethyl esterα-pivaloyloxyethyl (S)-3-(3,4-dihydroxyphenyl)-2-methylalaninate1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-α-methyl-L-tyrosinate3-Hydroxy-α-methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl ester
UNII-WBI8SO7K59SCHEMBL10416847IFDYIWPAJKYNTO-LKDXBUKQSA-N1-(2,2-Dimethylpropionyloxy)ethyl 3-hydroxy-alpha-methyl-L-tyrosinateNS000602511-[(2,2-dimethylpropanoyl)oxy]ethyl 3-hydroxy-alpha-methyl-L-tyrosinate3-Hydroxy-I+/--methyl-L-tyrosine 1-(2,2-dimethyl-1-oxopropoxy)ethyl esteralpha-Pivaloyloxyethyl (S)-3-(3,4-dihydroxyphenyl)-2-methylalaninate
데이터베이스 식별자
- CAS
81660-38-0- PubChem CID
- 88126
- DTXSID
DTXSID301002119- UNII
- WBI8SO7K59
- EC Number
- 279-793-2
- Nikkaji
- J296.102D
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 460
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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