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Reference substances

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Reference substance information

IUPAC name:
diphenylmethyl (6R,7R)-7-[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(triphenylmethoxy)imino]acetamido]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms
Names:
Identifier:
IUPAC name
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(triphenyl methoxy) imino]acetyl]amino]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
benzhydryl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-trityloxyiminoacetyl]amino]-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS information

CAS number:
376653-37-1

Molecular and structural information

Molecular formula:
C44H34N6O6S2
Molecular weight:
806.912
SMILES notation:
canonical: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NSC(=N6)N)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)C=O
isomeric: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=N\OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C6=NSC(=N6)N)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)C=O
InChl:
1S/C44H34N6O6S2/c45-43-47-38(49-58-43)34(48-56-44(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33)39(52)46-35-40(53)50-36(30(26-51)27-57-41(35)50)42(54)55-37(28-16-6-1-7-17-28)29-18-8-2-9-19-29/h1-26,35,37,41H,27H2,(H,46,52)(H2,45,47,49)/b48-34-/t35-,41-/m1/s1
Structural formula:
Chemical structure