potassium (5R,6R)-6-(1-hydroxy-1-methylethyl)-3-(5-methyl-1,3,4-thiadiazol-2-ylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

HCID 86741290
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기본 정보

표준 SMILES
Cc1nnc(SC2=C(C(=O)[O-])N3C(=O)[C@@H](C(C)(C)O)[C@H]3C2)s1.[K+]
InChIKey
YCKYLBUOEYFRGQ-HNJRQZNRSA-M
분자식
C13H14KN3O4S2
평균 분자량
379.5 g/mol

이름 및 식별자

우선 이름
potassium (5R,6R)-6-(1-hydroxy-1-methylethyl)-3-(5-methyl-1,3,4-thiadiazol-2-ylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC
potassium (5R,6R)-6-(2-hydroxypropan-2-yl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

이름 및 동의어

YCKYLBUOEYFRGQ-HNJRQZNRSA-Mpotassium (5R,6R)-6-(1-hydroxy-1-methylethyl)-3-(5-methyl-1,3,4-thiadiazol-2-ylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

데이터베이스 식별자

PubChem CID
86741290

물성

구조 계산 물성

극성 표면적
160 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
23

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potassium (5R,6R)-6-(1-hydroxy-1-methylethyl)-3-(5-methyl-1,3,4-thiadiazol-2-ylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (HCID 86741290)｜Huagongshe