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BYT : Summary
Code
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BYT
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One-letter code
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X
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Molecule name
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Biocytin
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Systematic names
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Formula
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C16 H28 N4 O4 S
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Formal charge
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0
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Molecular weight
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372.483 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N |
SMILES
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CACTVS |
3.385 |
N[CH](CCCCNC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 |
Canonical SMILES
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CACTVS |
3.385 |
N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 |
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IUPAC InChI | InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 |
IUPAC InChI key | BAQMYDQNMFBZNA-MNXVOIDGSA-N |
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wwPDB Information |
Atom count
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53 (25 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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2013-08-01
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Last modified at
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2020-06-17
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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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