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F9H : Summary
Code
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F9H
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One-letter code
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X
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Molecule name
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(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
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Systematic names
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Formula
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C23 H20 F3 N7 O4
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Formal charge
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0
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Molecular weight
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515.445 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
CC1(C)CN(C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21)C(=O)Nc1nnn[NH]1 |
SMILES
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CACTVS |
3.385 |
CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1(CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C |
Canonical SMILES
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CACTVS |
3.385 |
CC1(C)CN(C(=O)O1)[C@@]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC1(CN(C(=O)O1)[C@@]2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C |
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IUPAC InChI | InChI=1S/C23H20F3N7O4/c1-21(2)11-33(20(36)37-21)22(18(35)27-19-28-30-31-29-19)12-32(16-9-4-3-8-15(16)22)17(34)13-6-5-7-14(10-13)23(24,25)26/h3-10H,11-12H2,1-2H3,(H2,27,28,29,30,31,35)/t22-/m1/s1 |
IUPAC InChI key | CIOWYUCMYWZPAD-JOCHJYFZSA-N |
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wwPDB Information |
Atom count
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57 (37 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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2021-12-14
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Last modified at
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2022-07-01
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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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