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기본 정보
- CAS
65125-88-4- 표준 SMILES
CCCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O- InChIKey
ONGHZPONCZIAJY-KHYDYBCDSA-N- 분자식
- C24H29N5O7S
- 평균 분자량
- 531.591 g/mol
- 단동위원소 질량
- 531.17876927
이름 및 식별자
- 우선 이름
- 6-[(2-{[(2,3-Dioxo-4-propylpiperazin-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,6R)-6-[(2-{[(2,3-Dioxo-4-propylpiperazin-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,6R)-6-[[(R)-[[(2,3-Dioxo-4-propylpiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 분자식
- C24H29N5O7S
- 분자량
- 531.58
이름 및 동의어
T-12246α-[[(R)-[[(2,3-Dioxo-4-propylpiperazin-1-yl)carbonyl]amino]phenylacetyl]amino]penicillanic acid(2S,5R,6R)-6-[[(R)-[[(2,3-Dioxo-4-propylpiperazin-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-[[[[(2,3-dioxo-4-propyl-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]- (9CI)
데이터베이스 식별자
- CAS
65125-88-4- PubChem CID
- 3049681
- DTXSID
DTXSID50983692
물성
물리화학적 성질
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.44 · 2.44±0.50(Predicted)
관련 반응
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