PDB CCD ID: | ZY3 | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C31 H40 N4 O5 S | ||||||||||||
InChI: | InChI=1S/C31H40N4O5S/c1-4-33-27-18-24(19-29-26(27)14-9-15-41(38,39)35(29)2)31(37)34-28(17-22-10-6-5-7-11-22)30(36)21-32-20-23-12-8-13-25(16-23)40-3/h5-8,10-13,16,18-19,28,30,32-33,36H,4,9,14-15,17,20-21H2,1-3H3,(H,34,37)/t28-,30+/m0/s1 | ||||||||||||
InChIKey: | JAQQVYMOVUUAHB-MFMCTBQISA-N | ||||||||||||
SMILES: |
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Name: | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE | ||||||||||||
ZINC: | ZINC000038998991 |