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기본 정보
- CAS
65125-89-5- 표준 SMILES
CCCCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O- InChIKey
CKLWZJJGJJORMN-ZFIVPINASA-N- 분자식
- C25H31N5O7S
- 평균 분자량
- 545.618 g/mol
- 단동위원소 질량
- 545.19441933
이름 및 식별자
- 우선 이름
- 6-[(2-{[(4-Butyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- (2S,5R)-6-[(2-{[(4-Butyl-2,3-dioxopiperazin-1-yl)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- (2S,5R)-6-[[2-[(4-butyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-pheny l-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2 -carboxylic acid
- 분자식
- C25H31N5O7S
- 분자량
- 545.61
이름 및 동의어
T-12216α-[[(R)-[[(4-Butyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]penicillanic acid(2S,5R)-6-[[2-[(4-butyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-pheny l-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2 -carboxylic acid(2S,5R,6R)-6-[[(R)-[[(4-Butyl-2,3-dioxopiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-[[(4-butyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- (9CI)
데이터베이스 식별자
- CAS
65125-89-5- PubChem CID
- 3049682
- DTXSID
DTXSID10983693
물성
물리화학적 성질
- 밀도
- 1.464 · 1.464±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.443 · 2.443±0.50(predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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