110143-57-2
(2S,6R)-6-[[1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]AMINO]-5-OXO-(2-THIENYL)PERHYDRO-1,4-THIAZEPINE
Name
(2S,6R)-6-[[1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]AMINO]-5-OXO-(2-THIENYL)PERHYDRO-1,4-THIAZEPINE
Formula
C21 H26 N2 O3 S2
MolWeight
418.579
1Identification
【Name】
(2S,6R)-6-[[1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]AMINO]-5-OXO-(2-THIENYL)PERHYDRO-1,4-THIAZEPINE
【CAS】
【MDL】
MFCD09750951
【English Synonyms】
【Formula】
C21 H26 N2 O3 S2
【MolWeight】
418.579
【Inchi】
InChI=1S/C21H26N2O3S2/c1-2-26-21(25)16(11-10-15-7-4-3-5-8-15)23-17-14-28-19(13-22-20(17)24)18-9-6-12-27-18/h3-9,12,16-17,19,23H,2,10-11,13-14H2,1H3,(H,22,24)/t16-,17-,19-/m0/s1
【InChIKey】
InChIKey=MNASKBKMMDZKHG-LNLFQRSKSA-N
【SMILES】
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CS[C@@H](CNC2=O)c3cccs3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S,6R)-6-[[1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]AMINO]-5-OXO-(2-THIENYL)PERHYDRO-1,4-THIAZEPINE.cml
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Catalog No:U-2307 nullnull
Country/Region:United States
Business Type:Others
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