basic_info |
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Product_Name: | (2S)-N-[(1S)-1-(4-AMINOBUTYL)-2-OXO-2-(N-BENZYLCARBAMOYL)ETHYL]-N'-(N-METHYLPHENYLAMINO)-2-[(BENZYLOXYCARBONYL)AMINO]PENTANE-1,5-DIAMIDE HYDROCHLORIDE |
EnglishSynonyms: | KYT-36 HYDROCHLORIDE ; (2S)-N-[(1S)-1-(4-AMINOBUTYL)-2-OXO-2-(N-BENZYLCARBAMOYL)ETHYL]-N'-(N-METHYLPHENYLAMINO)-2-[(BENZYLOXYCARBONYL)AMINO]PENTANE-1,5-DIAMIDE HYDROCHLORIDE |
pro_mdlNumber: | MFCD07368605 |
pro_acceptors: | 12 |
pro_donors: | 5 |
pro_smile: | CN(c1ccccc1)NC(=O)CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc2ccccc2)NC(=O)OCc3ccccc3.Cl |
InChi: | InChI=1S/C34H42N6O6.ClH/c1-40(27-17-9-4-10-18-27)39-30(41)21-20-29(38-34(45)46-24-26-15-7-3-8-16-26)32(43)37-28(19-11-12-22-35)31(42)33(44)36-23-25-13-5-2-6-14-25;/h2-10,13-18,28-29H,11-12,19-24,35H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,41);1H/t28-,29-;/m0./s1 |
InChiKey: | InChIKey=YJQPKKABTZUCIL-OCPPCWRMSA-N |
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