(Q82477119)

English

4-Hydroxy-1-[(2-nitrophenyl)sulfanyl]-L-proline--N-cyclohexylcyclohexanamine (1/1)

chemical compound

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Statements

group of stereoisomers

0 references

chemical compound

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465.22974222000005 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₅N₃O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CCC(NC2CCCCC2)CC1.O=C(O)C1CC(O)CN1Sc1ccccc1[N+](=O)[O-]

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1CCC(NC2CCCCC2)CC1.O=C(O)[C@@H]1CC(O)CN1Sc1ccccc1[N+](=O)[O-]

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C12H23N.C11H12N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-7-5-9(11(15)16)12(6-7)19-10-4-2-1-3-8(10)13(17)18/h11-13H,1-10H2;1-4,7,9,14H,5-6H2,(H,15,16)/t;7?,9-/m.0/s1

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APVXEQLZSRIUHG-HZSUOFROSA-N

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CAS Registry Number

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DSSTox substance ID

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DSSTOX compound identifier

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