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GM6 : Summary
Code
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GM6
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One-letter code
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X
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Molecule name
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3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE
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Synonyms
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GM6001
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Systematic names
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Formula
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C20 H28 N4 O4
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Formal charge
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0
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Molecular weight
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388.461 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2)CC(C)C |
SMILES
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CACTVS |
3.341 |
CNC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)[CH](CC(C)C)CC(=O)NO |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)CC(CC(=O)NO)C(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)NC |
Canonical SMILES
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CACTVS |
3.341 |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC |
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IUPAC InChI | InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1 |
IUPAC InChI key | NITYDPDXAAFEIT-DYVFJYSZSA-N |
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wwPDB Information |
Atom count
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56 (28 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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2003-07-03
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Last modified at
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2021-03-01
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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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