(Q27461704)

CHEMBL594682 (English)

N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

19 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

inferred from InChI

2 references

inferred from InChIKey

N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₁H₃₀FN₅

1 reference

CHEMBL594682 (English)

19 October 2016

canonical SMILES

CC1=CC(=NC(=C1)N)CC2CNCC2NCCNCCC3=CC(=CC=C3)F

1 reference

CHEMBL594682 (English)

19 October 2016

isomeric SMILES

CC1=CC(=NC(=C1)N)C[C@@H]2CNC[C@@H]2NCCNCCC3=CC(=CC=C3)F

1 reference

CHEMBL594682 (English)

InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL594682 (English)

PUOKPLCASUFBAN-XLIONFOSSA-N

19 October 2016

InChIKey

1 reference

CHEMBL594682 (English)

19 October 2016

1 reference

N-{(3R,4R)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}-N'-[2-(3-fluorophenyl)ethyl]-1,2-ethanediamine (English)

19 October 2016

2 references

CHEMBL594682 (English)

matched by identifier from

19 October 2016

InChIKey

PUOKPLCASUFBAN-XLIONFOSSA-N

1 reference

CHEMBL594682 (English)

19 October 2016

1 reference

0 references

1 reference

3JWX (English)

19 October 2016

1 reference

3JWT (English)

19 October 2016

1 reference

3JX6 (English)

19 October 2016

1 reference

3JX3 (English)

19 October 2016

1 reference

3JX1 (English)