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EN7 : Summary
Code ![](/pdbe/static/images/help.png)
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EN7
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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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Safracin A
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Systematic names ![](/pdbe/static/images/help.png)
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Not Assigned
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Formula ![](/pdbe/static/images/help.png)
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C28 H36 N4 O6
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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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524.609 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
COc1c(C)cc2C[CH]3CN4[CH](CC5=C([CH]4CNC(=O)[CH](C)N)C(=O)C(=C(C)C5=O)OC)[CH](N3C)c2c1O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc2c(c(c1OC)O)C3C4CC5=C(C(N4CC(C2)N3C)CNC(=O)C(C)N)C(=O)C(=C(C5=O)C)OC |
Canonical SMILES
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CACTVS |
3.385 |
COc1c(C)cc2C[C@H]3CN4[C@@H](CC5=C([C@@H]4CNC(=O)[C@H](C)N)C(=O)C(=C(C)C5=O)OC)[C@H](N3C)c2c1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4CC5=C([C@@H](N4CC(C2)N3C)CNC(=O)[C@H](C)N)C(=O)C(=C(C5=O)C)OC |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AZDDAJXLYMVMAW-FKTFMUQYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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74 (38 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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2022-04-21
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Last modified at ![](/pdbe/static/images/help.png)
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2023-02-03
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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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