1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoyl]amino]propanoic acid

2.1.2 InChI

InChI=1S/C20H32N4O7/c1-18(2,3)30-16(28)22-13(14(25)23-20(7,8)15(26)27)9-12-10-24(11-21-12)17(29)31-19(4,5)6/h10-11,13H,9H2,1-8H3,(H,22,28)(H,23,25)(H,26,27)/t13-/m0/s1

2.1.3 InChI Key

AEYLPTWNEKVXEN-ZDUSSCGKSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2765344-17-8

2. Semaglutide Impurity 60

3. Semaglutide Impurity 14

4. Schembl29800065

5. H61730

2.3 Create Date

2023-08-18

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₂N₄O₇
Molecular Weight	440.5 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	149
Heavy Atom Count	31
Formal Charge	0
Complexity	695
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 2765344-17-8

CAS 2765344-17-8

CHEMISTRY

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