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71E : Summary
Code
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71E
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One-letter code
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X
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Molecule name
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DZ 2384
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Systematic names
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Not Assigned
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Formula
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C34 H36 F N5 O7
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Formal charge
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0
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Molecular weight
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645.677 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2 |
SMILES
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OpenEye OEToolkits |
2.0.5 |
CC(C)C(C(=O)NC1Cc2ccc3c(c2)C4(c5cc(ccc5NC4O3)F)c6c(nc(o6)C(NC1=O)C(C)(C)C)c7nc(co7)CO)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(C)[C@@H](O)C(=O)N[C@H]1Cc2ccc3O[C@H]4Nc5ccc(F)cc5[C@@]4(c6oc(nc6c7occ(CO)n7)[C@@H](NC1=O)C(C)(C)C)c3c2 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O |
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IUPAC InChI | InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1 |
IUPAC InChI key | ASKSNRMVOUTNLC-SEOXBTAJSA-N |
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wwPDB Information |
Atom count
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83 (47 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2016-08-11
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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