Glycine, (((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(ethoxycarbonyl)-, ethyl ester

HCID 3067963

기본 정보

CAS
82560-34-7
표준 SMILES
CCOC(=O)CN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(=O)OCC
InChIKey
WVGJMLNROJKXCD-UHFFFAOYSA-N
분자식
C19H26N2O7S
평균 분자량
426.5 g/mol
단동위원소 질량
426.14607217

이름 및 식별자

우선 이름
Glycine, (((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(ethoxycarbonyl)-, ethyl ester
IUPAC
ethyl 2-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonylamino]acetate

이름 및 동의어

82560-34-7Glycine, (((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(ethoxycarbonyl)-, ethyl esterDTXSID10231843RefChem:346275DTXCID40154334SCHEMBL11185817WVGJMLNROJKXCD-UHFFFAOYSA-N2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-(N-ethoxycarbonyl-N-ethoxycarbonylmethylaminosulfenyl)-N-methyl-carbamatEthyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-(ethoxycarbonyl)glycinate

데이터베이스 식별자

CAS
82560-34-7
PubChem CID
3067963
DTXSID
DTXSID10231843

물성

구조 계산 물성

XLogP
4.1
극성 표면적
120 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
29

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