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Reference substances

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IUPAC name:
4-({2,2-bis[(2-{[1-(diethoxycarbonyl)-2,2-dimethylpropyl](tert-butyl)aminooxy}-4-carboxy-4-methylpentanoyloxy)methyl]-3-hydroxypropyl}oxycarbonyl)-4-{[1-(diethoxycarbonyl)-2,2-dimethylpropyl](tert-butyl)aminooxy}-2,2-dimethylbutanoic acid

Inventory

CAS number:
880098-22-6

Synonyms

Molecular and structural information

Molecular formula:
C65 H126 N3 O25 P3
Molecular weight:
ca. 1 442.64
SMILES notation:
SMILES: CCOP(=O)(OCC)C(N(OC(CC(C)(C)C(O)=O)C(=O)OCC(CO)(COC(=O)C(CC(C)(C)C(O)=O)ON(C(C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C)COC(=O)C(CC(C)(C)C(O)=O)ON(C(C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChl:
Structure: 1
InChI=1/C65H126N3O25P3/c1-31-85-94(79,86-32-2)50(56(7,8)9)66(59(16,17)18)91-44(37-62(25,26)53(73)74)47(70)82-41-65(40-69,42-83-48(71)45(38-63(27,28)54(75)76)92-67(60(19,20)21)51(57(10,11)12)95(80,87-33-3)88-34-4)43-84-49(72)46(39-64(29,30)55(77)78)93-68(61(22,23)24)52(58(13,14)15)96(81,89-35-5)90-36-6/h44-46,50-52,69H,31-43H2,1-30H3,(H,73,74)(H,75,76)(H,77,78)
Structural formula:
Chemical structure

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