(Q27166433)

SCHEMBL4098081 (English)

9 October 2016

1 reference

C₁₂H₁₇N₃O₄S

1 reference

SCHEMBL4098081 (English)

9 October 2016

canonical SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O

1 reference

SCHEMBL4098081 (English)

9 October 2016

isomeric SMILES

C[C@H]([C@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O

1 reference

SCHEMBL4098081 (English)

InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL4098081 (English)

ZSKVGTPCRGIANV-BHNWBGBOSA-N

9 October 2016

InChIKey

2 references

SCHEMBL4098081 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5R,6R)-6-[(1R)-1-Hydroxyethyl]-3-({2-[(iminomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (English)

9 October 2016

2 references

SCHEMBL4098081 (English)

matched by identifier from

9 October 2016

InChIKey

ZSKVGTPCRGIANV-BHNWBGBOSA-N

ChEBI ID

94608

mapping relation type

2 references

(5R,6R)-3-[2-(aminomethylideneamino)ethylthio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (English)