3-[[5-[[[(Dimethylamino)methylene]amino]methyl]tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

HCID 74998913
노트반응
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기본 정보

표준 SMILES
CC(O)C1C(=O)N2C(C(=O)O)=C(SC3COC(CN=CN(C)C)C3)C(C)C12
InChIKey
QFNTZGGFKYDAMX-UHFFFAOYSA-N
분자식
C18H27N3O5S
평균 분자량
397.5 g/mol

이름 및 식별자

우선 이름
3-[[5-[[[(Dimethylamino)methylene]amino]methyl]tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC
3-[5-[(dimethylaminomethylideneamino)methyl]oxolan-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

이름 및 동의어

3-[[5-[[[(Dimethylamino)methylene]amino]methyl]tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid3-[[5-[[[(Dimethylamino)methylene]amino]methyl]tetrahydro-3-furanyl]thio]-6-(1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidQFNTZGGFKYDAMX-UHFFFAOYSA-N3-[[5-[[[(Dimethylamino)methylene]amino]methyl]tetrahydro-3furanyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]-hept-2-ene-2-carboxylic acid

데이터베이스 식별자

PubChem CID
74998913

물성

구조 계산 물성

XLogP
0.3
극성 표면적
128 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
27

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