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G0P : Summary
Code
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G0P
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One-letter code
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X
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Molecule name
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N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide
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Systematic names
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Formula
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C23 H35 N3 O8
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Formal charge
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0
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Molecular weight
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481.539 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C1CCCN1C(=O)C(CCCCN)NC(=O)c2ccc(cc2)OC3OC(CO)C(C(C3O)O)O |
SMILES
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CACTVS |
3.385 |
NCCCC[CH](NC(=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1)C(=O)N3CCCC3 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(ccc1C(=O)NC(CCCCN)C(=O)N2CCCC2)OC3C(C(C(C(O3)CO)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
NCCCC[C@H](NC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N3CCCC3 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
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IUPAC InChI | InChI=1S/C23H35N3O8/c24-10-2-1-5-16(22(32)26-11-3-4-12-26)25-21(31)14-6-8-15(9-7-14)33-23-20(30)19(29)18(28)17(13-27)34-23/h6-9,16-20,23,27-30H,1-5,10-13,24H2,(H,25,31)/t16-,17+,18-,19-,20+,23+/m0/s1 |
IUPAC InChI key | GCYOKNSMKQYQAG-YWAVYKJCSA-N |
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wwPDB Information |
Atom count
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69 (34 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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2015-03-20
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Last modified at
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2015-09-04
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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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