기본 정보
- CAS
63359-73-9- 표준 SMILES
CNC(=O)CC(SNc1ccccc1[N+](=O)[O-])C(=O)NC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccc(O)cc1- InChIKey
ACKMOAGYVLFVOG-MDWVUUHKSA-N- 분자식
- C27H30N6O9S2
- 평균 분자량
- 646.7 g/mol
이름 및 식별자
- 우선 이름
- (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-(o-Nitrophenylthioamino)-3-(N-methylcarbamoyl)propionyl]amino]-2-(p-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-(o-Nitrophenylthioamino)-3-(N-methylcarbamoyl)propionyl]amino]-2-(p-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 분자식
- C27H30N6O9S2
- 분자량
- 646.7
이름 및 동의어
(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-(o-Nitrophenylthioamino)-3-(N-methylcarbamoyl)propionyl]amino]-2-(p-hydroxyphenyl)acetyl]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-[[(4-hydroxyphenyl)[[4-(methylamino)-2-[[(2-nitrophenyl)amino]thio]-1,4-dioxobutyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]- (9CI)
데이터베이스 식별자
- CAS
63359-73-9
물성
물리화학적 성질
- 밀도
- 1.567 · 1.567±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.443 · 2.443±0.50(predicted)
관련 반응
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