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阿扑西林钠

(2S,6R)-6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,tetrahydrate

TA 058 trihydrate, UNII-QL05X0PL6T, D-Aspoxicillin trihydrate

CAS号: 117774-38-6

IUPAC名称: (2S,6R)-6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;tetrahydrate

分子式: C21H33N5O10S

分子量: 547.57900

InChI: InChI=1S/C21H27N5O7S.4H2O/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)24-13(9-4-6-10(27)7-5-9)17(30)25-16(29)11(23-3)8-12(22)28;;;;/h4-7,11,13-15,19,23-24,27H,8H2,1-3H3,(H2,22,28)(H,32,33)(H,25,29,30);4*1H2/t11-,13+,14-,15+,19?;;;;/m1..../s1

InChIKey: JROFUDWEAFHOSZ-AFFQFSEASA-N

SMILES: CC1([C@@H](N2C(S1)[C@@H](C2=O)N[C@@H](C3=CC=C(C=C3)O)C(=O)NC(=O)[C@@H](CC(=O)N)NC)C(=O)O)C.O.O.O.O

EINECS: -

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