(Q27130899)

D-benzylpenillamine (English)

7 October 2016

chemical formula

C₁₅H₁₈N₂O₂S

1 reference

D-benzylpenillamine (English)

7 October 2016

canonical SMILES

CC(C)(C(C(=O)O)N1C=CN=C1CC2=CC=CC=C2)S

1 reference

D-benzylpenillamine (English)

7 October 2016

isomeric SMILES

CC(C)([C@H](C(=O)O)N1C=CN=C1CC2=CC=CC=C2)S

1 reference

D-benzylpenillamine (English)

InChI=1S/C15H18N2O2S/c1-15(2,20)13(14(18)19)17-9-8-16-12(17)10-11-6-4-3-5-7-11/h3-9,13,20H,10H2,1-2H3,(H,18,19)/t13-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

D-benzylpenillamine (English)

GKKMZZILRVHLJN-ZDUSSCGKSA-N

7 October 2016

InChIKey

2 references

D-benzylpenillamine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S)-2-(2-Benzyl-1H-imidazol-1-yl)-3-methyl-3-sulfanylbutanoic acid (English)

7 October 2016

2 references

D-benzylpenillamine (English)

matched by identifier from

7 October 2016

InChIKey

GKKMZZILRVHLJN-ZDUSSCGKSA-N

Reaxys registry number

87115

1 reference

benzylpenillamine (English)

7 October 2016

ChEBI ID

61224

mapping relation type

2 references

benzylpenillamine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C15H18N2O2S/c1-15(2,20)13(14(18)19)17-9-8-16-12(17)10-11-6-4-3-5-7-11/h3-9,13,20H,10H2,1-2H3,(H,18,19)/t13-/m0/s1

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

140787