0NW
3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide
Find entries where: 0NW
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide |
Identifiers | 3-[(2S)-3-[4-(2-azanylethyl)piperidin-1-yl]-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-3-oxidanylidene-propyl]benzenecarboximidamide |
Formula | C29 H33 Cl2 N5 O3 S |
Molecular Weight | 602.575 |
Type | NON-POLYMER |
Isomeric SMILES | [H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3cccc(c3)c4ccc(cc4Cl)Cl)/N |
InChI | InChI=1S/C29H33Cl2N5O3S/c30-23-7-8-25(26(31)18-23)21-4-2-6-24(17-21)40(38,39)35-27(16-20-3-1-5-22(15-20)28(33)34)29(37)36-13-10-19(9-12-32)11-14-36/h1-8,15,17-19,27,35H,9-14,16,32H2,(H3,33,34)/t27-/m0/s1 |
InChIKey | ZLCINVZAICQINL-MHZLTWQESA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 1 |
Bond Count | 76 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3219079 |
PubChem | 50939649 |
ChEMBL | CHEMBL3219079 |