General Information of the Compound
| Compound ID |
CP0348558
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| Compound Name |
(8R,13R)-13-[(S)-2-Acetylamino-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 |
C25H34N4O7S2
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| Molecular Weight |
566.702
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| Canonical SMILES |
CC(=O)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/C25H34N4O7S2/c1-15(30)27-18(12-16-4-6-17(31)7-5-16)22(33)28-19-13-37-38-14-20(23(34)35)29-24(36)25(8-2-3-9-25)10-11-26-21(19)32/h4-7,18-20,31H,2-3,8-14H2,1H3,(H,26,32)(H,27,30)(H,28,33)(H,29,36)(H,34,35)/t18-,19-,20-/m0/s1
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| InChIKey |
NIIOQEIZEWMBBI-UFYCRDLUSA-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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