Registration Dossier

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
tert-butyl (3E,3'R)-3-{[(6R,7R)-7-[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(triphenylmethoxy)imino]acetamido]-2-[(diphenylmethoxy)carbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylidene}-2-oxo-[1,3'-bipyrrolidine]-1'-carboxylate
Synonyms
Names:
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(triphenylmethoxy)imino]acetyl]amino]-3-[(E)-[(3'R)-1'-[(1,1-dimethylethoxy)carbonyl]-2-oxo-[1,3'-bipyrrolidin]-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester

CAS information

CAS number:
376653-41-7

Molecular and structural information

Molecular formula:
C57H54N8O8S2
Molecular weight:
1 043.227
SMILES notation:
canonical:CC(C)(C)OC(=O)N1CCC(C1)N2CCC(=CC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C8=NSC(=N8)N)SC3)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1)C2=O
isomeric: CC(C)(C)OC(=O)N1CC[C@H](C1)N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)/C8=NSC(=N8)N)SC3)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1)/C2=O
InChl:
1S/C57H54N8O8S2/c1-56(2,3)72-55(70)63-31-30-43(34-63)64-32-29-38(50(64)67)33-39-35-74-52-45(51(68)65(52)46(39)53(69)71-47(36-19-9-4-10-20-36)37-21-11-5-12-22-37)59-49(66)44(48-60-54(58)75-62-48)61-73-57(40-23-13-6-14-24-40,41-25-15-7-16-26-41)42-27-17-8-18-28-42/h4-28,33,43,45,47,52H,29-32,34-35H2,1-3H3,(H,59,66)(H2,58,60,62)/b38-33+,61-44-/t43-,45-,52-/m1/s1
Structural formula:
Chemical structure