General Information of the Compound
| Compound ID |
CP0448248
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| Compound Name |
(8R,13R)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,14-dioxo-10,11-dithia-7,15-diaza-spiro[4.13]octadecane-8-carboxylic acid
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| Structure |
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| Formula |
C24H34N4O6S2
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| Molecular Weight |
538.692
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2(CCCC2)CCCNC1=O)C(O)=O
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| InChI |
InChI=1S/C24H34N4O6S2/c25-17(12-15-4-6-16(29)7-5-15)20(30)27-18-13-35-36-14-19(22(32)33)28-23(34)24(8-1-2-9-24)10-3-11-26-21(18)31/h4-7,17-19,29H,1-3,8-14,25H2,(H,26,31)(H,27,30)(H,28,34)(H,32,33)/t17-,18-,19-/m0/s1
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| InChIKey |
QCFWGLHYMNGKNG-FHWLQOOXSA-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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