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91832-40-5 molecular structure
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(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ChemBase ID: 417
Molecular Formular: C14H13N5O5S2
Molecular Mass: 395.41352
Monoisotopic Mass: 395.03581054
SMILES and InChIs

SMILES:
S1[C@H]2N(C(=O)[C@H]2NC(=O)/C(=N\O)/c2nc(sc2)N)C(=C(C1)C=C)C(=O)O
Canonical SMILES:
O/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C
InChI:
InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1
InChIKey:
RTXOFQZKPXMALH-GHXIOONMSA-N

Cite this record

CBID:417 http://www.chembase.cn/molecule-417.html

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