(2S)-N-[(1S)-1-(4-AMINOBUTYL)-2-OXO-2-(N-BENZYLCARBAMOYL)ETHYL]-N'-(N-METHYLPHENYLAMINO)-2-[(BENZYLOXYCARBONYL)AMINO]PENTANE-1,5-DIAMIDE HYDROCHLORIDE

pro_cas
pro_cdbregno
CCD00581957
pro_formula
C34 H42 N6 O6 . Cl H
pro_molWeight
667.203

basic_info

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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