6-{2-[(4-Ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

HCID 4835
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O
InChIKey
IVBHGBMCVLDMKU-UHFFFAOYSA-N
분자식
C23H27N5O7S
평균 분자량
517.6 g/mol

이름 및 식별자

우선 이름
6-{2-[(4-Ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

이름 및 동의어

SCHEMBL4486297498531-49-06-{2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEMBL1616926EBC-13282STK397060AKOS005434036DB-017799ST50891174EN300-276946956-(2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
이름 더 보기
6-{2-[(4-ethyl-2,3-dioxo(1,4-diazaperhydroinyl))carbonylamino]-2-phenylacetyla mino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6beta-[(R)-2-(4-ethyl-2,3-dioxo-piperazine-1-carbonylamino)-2-phenyl-acetylamino]-penicillanic acid

데이터베이스 식별자

PubChem CID
4835
ChEMBL
CHEMBL1616926

물성

구조 계산 물성

XLogP
0.5
극성 표면적
182 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
36

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