General Information of the Compound
| Compound ID |
CP0261092
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| Compound Name |
(5R,8S,13S,15aR)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-carboxymethyl-4,7,15-trioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid
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| Structure |
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| Formula |
C26H33N5O10S2
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| Molecular Weight |
639.709
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O
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| InChI |
InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17+,18+,19+,20+/m0/s1
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| InChIKey |
IXDDZIVBYAEUTN-OMQSBVIBSA-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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