N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide (Q27456742)

CHEMBL3325610 (English)

N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₉N₅O₂S₂

1 reference

CHEMBL3325610 (English)

19 October 2016

canonical SMILES

C1=CC(=CC(=C1)N=C(C2=CC=CS2)N)COCC(CN)OCC3=CC(=CC=C3)N=C(C4=CC=CS4)N

1 reference

CHEMBL3325610 (English)

19 October 2016

isomeric SMILES

C1=CC(=CC(=C1)N=C(C2=CC=CS2)N)COC[C@H](CN)OCC3=CC(=CC=C3)N=C(C4=CC=CS4)N

1 reference

CHEMBL3325610 (English)

InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3325610 (English)

KEUPBLDQGUHFOB-QHCPKHFHSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3325610 (English)

19 October 2016

1 reference

N,N''-{[(2S)-3-Amino-1,2-propanediyl]bis(oxymethylene-3,1-phenylene)}di(2-thiophenecarboximidamide) (English)

19 October 2016

1 reference

CHEMBL3325610 (English)

19 October 2016

1 reference

CHEMBL3325610 (English)

19 October 2016

1 reference

0 references

1 reference

4UPN (English)

19 October 2016

1 reference

4UPR (English)

19 October 2016

1 reference

4UGQ (English)