General Information of the Compound
| Compound ID |
CP0153609
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| Compound Name |
(2S)-2-[[(Z,2R)-5-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-2-benzyl-4-fluoropent-3-enoyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C29H37FN4O6
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| Molecular Weight |
556.635
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)\C=C(/F)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C29H37FN4O6/c1-18(2)12-25(29(39)40)34-27(37)21(13-19-6-4-3-5-7-19)15-22(30)16-32-26(36)17-33-28(38)24(31)14-20-8-10-23(35)11-9-20/h3-11,15,18,21,24-25,35H,12-14,16-17,31H2,1-2H3,(H,32,36)(H,33,38)(H,34,37)(H,39,40)/b22-15-/t21-,24+,25+/m1/s1
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| InChIKey |
PIWHQGKTKYHXSW-KOGWVKCLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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