N-[(1S)-3-[3-(TRANS-2-AMINOCYCLOPROPYL)PHENOXY]-1-(BENZYLCARBAMOYL)PROPYL]BENZAMIDE HYDROCHLORIDE

CAS No.
1196052-98-8
CCD No.
CCD05428899
Formula
C27 H29 N3 O3 . Cl H
MolWeight
480.005

Basic Information

Product Name: N-[(1S)-3-[3-(TRANS-2-AMINOCYCLOPROPYL)PHENOXY]-1-(BENZYLCARBAMOYL)PROPYL]BENZAMIDE HYDROCHLORIDE
CAS: 1196052-98-8
English Synonyms: NCL-1 HCL ; (S)-TRANS-N-3-[3-(2-AMINOCYCLOPROPYL)PHENOXY]-1-BENZYLCARBAMOYL PROPYLBENZAMIDE HYDROCHLORIDE ; N-[(1S)-3-[3-(TRANS-2-AMINOCYCLOPROPYL)PHENOXY]-1-(BENZYLCARBAMOYL)PROPYL]BENZAMIDE HYDROCHLORIDE
MDL Number.: MFCD20265637
H bond acceptor: 6
H bond donor: 3
Smile: c1ccc(cc1)CNC(=O)[C@H](CCOc2cccc(c2)[C@@H]3C[C@H]3N)NC(=O)c4ccccc4.Cl
InChi: InChI=1S/C27H29N3O3.ClH/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19;/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31);1H/t23-,24+,25-;/m0./s1
InChiKey: InChIKey=PIDNCMVGQXYHNF-XFDHIDHYSA-N

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