(6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-acetyl]am ino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylic acid
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기본 정보
- CAS
84080-55-7- 표준 SMILES
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3ccn[nH]3)[C@H]2SC1- InChIKey
AXCIEQAUBGQHIM-PCZSKDDWSA-N- 분자식
- C17H17N9O7S2
- 평균 분자량
- 523.51 g/mol
이름 및 식별자
- 우선 이름
- (6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-acetyl]am ino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- (6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-acetyl]am ino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylic acid
- 분자식
- C17H17N9O7S2
- 분자량
- 523.51
이름 및 동의어
CPW 86363(6R,7R)-7-[[2-(carboxymethoxyamino)-2-pyrazol-3-ylideneacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7α-[[[(Z)-(Carboxymethoxy)imino](1H-pyrazol-3-yl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-acetyl]am ino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyc lo[4.2.0]oct-2-ene-2-carboxylic acid
데이터베이스 식별자
- CAS
84080-55-7- PubChem CID
- 137203395
- UNII
- ZH1X7IYM3Q
- Nikkaji
- J227.712C
물성
물리화학적 성질
- 밀도
- 1.978 · 1.978±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.608 · 2.608±0.50(predicted)
관련 반응
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