[6R-trans]-4-[3-carboxy-1-(2-fluoroethyl)-6,8-difluoro-1,4-dihydro-4-oxoquinolin-7-yl]-1-[[2-carboxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo-[4.2.0]oct-2-en-3-yl]methyl]-1-methylpiperazinium iodide

HCID 14781964
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기본 정보

표준 SMILES
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)COc4ccccc4)[C@H]3SC2)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1.[I-]
InChIKey
LTWPPUGHNDGYKK-SGXBNLSYSA-N
분자식
C33H33F3IN5O8S
평균 분자량
843.6 g/mol
단동위원소 질량
843.10467

이름 및 식별자

우선 이름
[6R-trans]-4-[3-carboxy-1-(2-fluoroethyl)-6,8-difluoro-1,4-dihydro-4-oxoquinolin-7-yl]-1-[[2-carboxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo-[4.2.0]oct-2-en-3-yl]methyl]-1-methylpiperazinium iodide
IUPAC
(6R,7R)-3-[[4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-7-yl]-1-methylpiperazin-1-ium-1-yl]methyl]-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid iodide

이름 및 동의어

SCHEMBL9020946LTWPPUGHNDGYKK-SGXBNLSYSA-N[6R-trans]-4-[3-carboxy-1-(2-fluoroethyl)-6,8-difluoro-1,4-dihydro-4-oxoquinolin-7-yl]-1-[[2-carboxy-8-oxo-7-[(phenoxyacetyl)amino]-5-thia-1-azabicyclo-[4.2.0]oct-2-en-3-yl]methyl]-1-methylpiperazinium iodide

데이터베이스 식별자

PubChem CID
14781964

물성

구조 계산 물성

극성 표면적
182 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
15
회전 가능 결합 수
11
무거운 원자 수
51

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