(2S,5R,6R)-6-[(2R)-2-[(2R)-2-AMINO-3-(N-METHYLCARBAMOYL)-PROPIONAMIDO]-2-(P-HYDROXYPHENYL)ACETAMIDO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID TRIHYDRATE

CAS No.
63358-49-6
CCD No.
CCD05208752
Formula
C21 H27 N5 O7 S . 3 H2 O
MolWeight
547.583

Basic Information

Product Name: (2S,5R,6R)-6-[(2R)-2-[(2R)-2-AMINO-3-(N-METHYLCARBAMOYL)-PROPIONAMIDO]-2-(P-HYDROXYPHENYL)ACETAMIDO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID TRIHYDRATE
CAS: 63358-49-6
English Synonyms: (2S,5R,6R)-6-[(2R)-2-[(2R)-2-AMINO-3-(N-METHYLCARBAMOYL)-PROPIONAMIDO]-2-(P-HYDROXYPHENYL)ACETAMIDO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID TRIHYDRATE
MDL Number.: MFCD19687069
H bond acceptor: 12
H bond donor: 6
Smile: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C.O.O.O
InChi: InChI=1S/C21H27N5O7S.3H2O/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3;;;/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33);3*1H2/t11-,13-,14-,15+,19-;;;/m1.../s1
InChiKey: InChIKey=TXQFNMPGORBMME-GPIZLFNGSA-N

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