{"created":1772594087135,"createdBy":"ADMIN","lastEdited":1772608156720,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"0684ec7e-3a66-4841-92fa-614c38d6a60a","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"18","approvedBy":"FDA_SRS","approvalID":"NNU3C726JH","structure":{"id":"50c5cddf-5728-30ad-90fe-5c2d6515dc88","created":1772594087157,"lastEdited":1772594087162,"deprecated":false,"digest":"233a71e75aedbb4ce77f6939dd6b1a2596fd7ef1","molfile":"\n   JSDraw206102109292D\n\n 26 28  0  0  1  0              0 V2000\n   28.3600   -9.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   29.8437  -10.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.3258  -11.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.8516  -12.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   29.2821  -12.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   30.7607   -9.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.9201   -7.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.9201  -10.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.8437   -7.7769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   28.3600   -8.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.1161   -6.7182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   26.8000   -8.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.8000   -9.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.6971  -10.9221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   25.6971   -7.1560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   24.1902   -7.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.0871   -6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.5804   -6.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4772   -5.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9704   -6.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8674   -5.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2711   -3.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.7780   -3.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.8809   -4.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1679   -2.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   23.7865   -9.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  1  6  0  0  0\n  4  3  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  2  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  6  1  0  0  0  0\n  9  6  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  6  0  0  0\n 12 10  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  2  0  0  0  0\n 13  1  1  0  0  0  0\n 12 15  1  1  0  0  0\n 10  1  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  2  0  0  0  0\n 20 19  2  0  0  0  0\n 19 24  1  0  0  0  0\n 22 25  1  0  0  0  0\n 16 26  2  0  0  0  0\nM  END","smiles":"CC1(C)[C@H](C(=O)O)N2C(=O)[C@H]([C@@]2([H])S1)NC(=O)COc3ccc(cc3)O","formula":"C16H18N2O6S","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":3,"definedStereo":3,"ezCenters":0,"charge":0,"mwt":366.3906,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","references":["dc92c592-4696-d5a1-2332-4a64ce84dedb"],"access":[],"hash":"DXLWRYXQESUXNE_MBNYWOFBSA_N","_inchiKey":"DXLWRYXQESUXNE-MBNYWOFBSA-N","_inchi":"InChI=1S/C16H18N2O6S/c1-16(2)12(15(22)23)18-13(21)11(14(18)25-16)17-10(20)7-24-9-5-3-8(19)4-6-9/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1"},"_name":"4-HYDROXYPENICILLIN V","_approvalIDDisplay":"NNU3C726JH","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/moieties"},"_names":{"count":11,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/names"},"_codes":{"count":4,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/codes"},"_properties":{"count":0,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/properties"},"_relationships":{"count":5,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/relationships"},"_references":{"count":8,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(0684ec7e-3a66-4841-92fa-614c38d6a60a)/references"}}