(Q27127120)

CHEBI:60209 (English)

6 October 2016

chemical formula

C₁₆H₁₈N₂O₄S

1 reference

CHEBI:60209 (English)

6 October 2016

canonical SMILES

CC(C)(C(C(=O)O)NC=C1C(=O)OC(=N1)CC2=CC=CC=C2)S

1 reference

CHEBI:60209 (English)

6 October 2016

isomeric SMILES

CC(C)([C@H](C(=O)O)NC=C1C(=O)OC(=N1)CC2=CC=CC=C2)S

1 reference

CHEBI:60209 (English)

InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/t13-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:60209 (English)

WGIWOHWWPXKJMS-ZDUSSCGKSA-N

6 October 2016

InChIKey

2 references

CHEBI:60209 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

benzylpenicillenic acid (English)

6 October 2016

1 reference

N-[(E)-(2-Benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-3-sulfanyl-D-valine (English)

6 October 2016

1 reference

CHEBI:60209 (English)

6 October 2016

Reaxys registry number

42406

1 reference

benzylpenicillenic acid (English)

6 October 2016

ChEBI ID

60209

mapping relation type

2 references

benzylpenicillenic acid (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)/t13-/m0/s1

IEDB Epitope ID

140782

1 reference

stated in

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

140782