General Information of the Compound
| Compound ID |
CP0063957
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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[4.12]heptadecane-8-carboxylic acid
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| Structure |
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| Formula |
C23H32N4O6S2
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| Molecular Weight |
524.665
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2(CCCC2)CCNC1=O)C(O)=O
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| InChI |
InChI=1S/C23H32N4O6S2/c24-16(11-14-3-5-15(28)6-4-14)19(29)26-17-12-34-35-13-18(21(31)32)27-22(33)23(7-1-2-8-23)9-10-25-20(17)30/h3-6,16-18,28H,1-2,7-13,24H2,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t16-,17-,18-/m0/s1
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| InChIKey |
RSTZPOQSPRAZIO-BZSNNMDCSA-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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