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PUY : Summary
Code
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PUY
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One-letter code
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N
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Molecule name
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PUROMYCIN
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Systematic names
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Formula
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C22 H29 N7 O5
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Formal charge
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0
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Molecular weight
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471.51 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(N)Cc4ccc(OC)cc4 |
SMILES
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CACTVS |
3.341 |
COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)N)O |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)N)O |
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IUPAC InChI | InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1 |
IUPAC InChI key | RXWNCPJZOCPEPQ-NVWDDTSBSA-N |
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wwPDB Information |
Atom count
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63 (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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RNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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Not Assigned
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Defined at
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2003-08-25
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Last modified at
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2011-06-04
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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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