(5S,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Q27166259)

BRD-A60052764-236-01-1 (English)

9 October 2016

chemical formula

C₁₉H₁₇ClFN₃O₅S

1 reference

BRD-A60052764-236-01-1 (English)

9 October 2016

canonical SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

1 reference

BRD-A60052764-236-01-1 (English)

9 October 2016

isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@H]4N(C3=O)C(C(S4)(C)C)C(=O)O

1 reference

BRD-A60052764-236-01-1 (English)

InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14?,17+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A60052764-236-01-1 (English)

UIOFUWFRIANQPC-HFIQTRLSSA-N

9 October 2016

InChIKey

2 references

BRD-A60052764-236-01-1 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A60052764-236-01-1 (English)

matched by identifier from

9 October 2016

InChIKey

UIOFUWFRIANQPC-HFIQTRLSSA-N

ChEBI ID

94407

mapping relation type

2 references

(5S,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (English)