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ONV : Summary
Code ![](/pdbe/static/images/help.png)
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ONV
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C22 H20 Cl N3 O7
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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473.863 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C4(COc1c(Cl)cc3c(c1)nc(C(NC(c2ccc(C(=O)O)cc2)CO)=O)c3)CNC(O4)=O |
SMILES
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CACTVS |
3.385 |
OC[CH](NC(=O)c1[nH]c2cc(OC[CH]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C(CO)NC(=O)c2cc3cc(c(cc3[nH]2)OCC4CNC(=O)O4)Cl)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC[C@@H](NC(=O)c1[nH]c2cc(OC[C@@H]3CNC(=O)O3)c(Cl)cc2c1)c4ccc(cc4)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C22H20ClN3O7/c23-15-5-13-6-17(25-16(13)7-19(15)32-10-14-8-24-22(31)33-14)20(28)26-18(9-27)11-1-3-12(4-2-11)21(29)30/h1-7,14,18,25,27H,8-10H2,(H,24,31)(H,26,28)(H,29,30)/t14-,18+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HSLVBDMYOQHSSR-KBXCAEBGSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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53 (33 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2019-07-01
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Last modified at ![](/pdbe/static/images/help.png)
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2019-07-19
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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