7beta-[2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetamido]-3-(1-methyl-1-piperazinio)methyl-3-cephem-4-carboxylate (HCID 131718152)

기본 정보

표준 SMILES: CCON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCNCC3)CS[C@H]12)c1nsc(N)n1
InChIKey: YDGIXVWFIILVQX-SJKOYZFVSA-N
분자식: C19H26N8O5S2
평균 분자량: 510.6 g/mol

이름 및 식별자

우선 이름: 7beta-[2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetamido]-3-(1-methyl-1-piperazinio)methyl-3-cephem-4-carboxylate
IUPAC: (6R,7R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[(1-methylpiperazin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

이름 및 동의어

YDGIXVWFIILVQX-SJKOYZFVSA-N7beta-[2-(5-amino-1,2,4-thiadiazol-3-yl) -2-ethoxyiminoacetamido]-3-(1-methyl-1-piperazinio)methyl-3-cephem-4-carboxylate7beta-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetamido]-3-(1-methyl-1-piperazinio)methyl-3-cephem-4-carboxylate

데이터베이스 식별자

PubChem CID: 131718152

물성

구조 계산 물성

XLogP: -3.3
극성 표면적: 229 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 12
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 904

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