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NPH : Summary
Code
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NPH
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One-letter code
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C
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Molecule name
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CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
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Systematic names
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Formula
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C17 H16 N4 O3 S
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Formal charge
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0
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Molecular weight
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356.399 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)CSCC(=O)Nc2cc1cccnc1c3ncccc23 |
SMILES
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CACTVS |
3.341 |
N[CH](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2cc(c3cccnc3c2nc1)NC(=O)CSCC(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
N[C@@H](CSCC(=O)Nc1cc2cccnc2c3ncccc13)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1 |
IUPAC InChI key | ZFGIPRHDRFOMFO-LBPRGKRZSA-N |
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wwPDB Information |
Atom count
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41 (25 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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CYS
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Defined at
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1999-07-08
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Last modified at
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2024-09-27
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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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