(Pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

HCID 119617CAS 27726-32-5

기본 정보

표준 SMILES
CC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(N)C2SC1
InChIKey
WYCUHWBZAWSQBN-UHFFFAOYSA-N
분자식
C14H20N2O5S
평균 분자량
328.39 g/mol
단동위원소 질량
328.10929292

이름 및 식별자

우선 이름
(Pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
IUPAC
2,2-dimethylpropanoyloxymethyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

이름 및 동의어

27726-32-5EINECS 248-623-9(Pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate[(2,2-dimethylpropanoyl)oxy]methyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL11561692DTXSID909504243-methyl-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivalyloxymethyl ester7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivalyloxymethyl ester

데이터베이스 식별자

CAS
27726-32-5
PubChem CID
119617
DTXSID
DTXSID90950424
EC Number
248-623-9

물성

구조 계산 물성

XLogP
0.9
극성 표면적
124 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
22

관련 반응

4건

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