2-[(2S)-6-[[(1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL]AMINO]-5-OXO-2-THIOPHEN-2-YL-1,4-THIAZEPAN-4-YL]ACETIC ACID

CAS No.
111902-57-9
CCD No.
CCD02385224
Formula
C23 H28 N2 O5 S2
MolWeight
476.615

Basic Information

Product Name: 2-[(2S)-6-[[(1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL]AMINO]-5-OXO-2-THIOPHEN-2-YL-1,4-THIAZEPAN-4-YL]ACETIC ACID
CAS: 111902-57-9
English Synonyms: 2-[(2S)-6-[[(1S)-1-ETHOXYCARBONYL-3-PHENYL-PROPYL]AMINO]-5-OXO-2-THIOPHEN-2-YL-1,4-THIAZEPAN-4-YL]ACETIC ACID
MDL Number.: MFCD15146333
H bond acceptor: 7
H bond donor: 2
Smile: CCOC(=O)[C@H](CCc1ccccc1)NC2CS[C@@H](CN(C2=O)CC(=O)O)c3cccs3
InChi: InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18?,20-/m0/s1
InChiKey: InChIKey=FIQOFIRCTOWDOW-DXCJPMOASA-N

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