(Q82696236)

English

(6R,7S)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

453.04128982000003 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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based on heuristic

inferred from InChIKey

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C₁₆H₁₅N₅O₇S₂

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canonical SMILES

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC(=O)O)c3csc(N)n3)C2SC1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O

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Identifiers

InChI

InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14+/m0/s1

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InChIKey

OKBVVJOGVLARMR-WVIRHPHLSA-N

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matched by identifier from

InChIKey

OKBVVJOGVLARMR-WVIRHPHLSA-N

1 reference

1 reference

matched by identifier from

InChIKey

OKBVVJOGVLARMR-WVIRHPHLSA-N

DSSTOX compound identifier

DTXCID10698053

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(Q82696236)

(6R,7S)-7-({(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetyl}amino)-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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