General Information of the Compound
| Compound ID |
CP0151591
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| Compound Name |
(S)-2-[(R)-3-[((R)-1-Benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-2-(3-phenyl-isoxazol-5-ylmethyl)-propionylamino]-3-(4-hydroxy-phenyl)-propionic acid
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| Structure |
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| Formula |
C38H38N3O9P
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| Molecular Weight |
711.708
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1cc(no1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34-,35+/m0/s1
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| InChIKey |
ZPFSKFCSVXPMBD-PFESQZPFSA-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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