(Q27451003)

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid (English)

19 October 2016

chemical formula

C₂₇H₃₁N₅O₅S

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0CB

16 February 2021

canonical SMILES

O=C(O)CS(=O)(=O)N(C1=CC=C(OC2CCN(C(=N)C)CC2)C=C1)CC3=CC4=CC(C(=N)N)=CC=C4C=C3

1 reference

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid (English)

19 October 2016

isomeric SMILES

[H]/N=C(\C)/N1CCC(CC1)Oc2ccc(cc2)N(Cc3ccc4ccc(cc4c3)/C(=N\[H])/N)S(=O)(=O)CC(=O)O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

0CB

InChI=1S/C27H31N5O5S/c1-18(28)31-12-10-25(11-13-31)37-24-8-6-23(7-9-24)32(38(35,36)17-26(33)34)16-19-2-3-20-4-5-21(27(29)30)15-22(20)14-19/h2-9,14-15,25,28H,10-13,16-17H2,1H3,(H3,29,30)(H,33,34)/b28-18+

16 February 2021

Identifiers

InChI

1 reference

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid (English)

NPBKHEMDWREFJJ-MTDXEUNCSA-N

19 October 2016

InChIKey

1 reference

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid (English)

19 October 2016

1 reference

{[(7-Carbamimidoyl-2-naphthyl)methyl][4-({1-[(1E)-ethanimidoyl]-4-piperidinyl}oxy)phenyl]sulfamoyl}acetic acid (English)

19 October 2016

0 references

1 reference

3UUZ (English)