1H-Indole-2-carboxylic acid,1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,7aS)-, compd. with 2-methyl-2-propanamine (1:1)OTHER CA INDEX NAMES:2-Propanamine, 2-methyl-,(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate


Chemical Name: 1H-Indole-2-carboxylic acid,1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,7aS)-, compd. with 2-methyl-2-propanamine (1:1)OTHER CA INDEX NAMES:2-Propanamine, 2-methyl-,(2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylate
CAS Number: 107133-36-8
Product Number: AG00IKJZ(AGN-PC-0OWWJX)
Synonyms:
MDL No:
Molecular Formula: C23H43N3O5
Molecular Weight: 441.6046

Identification/Properties


Computed Properties
Molecular Weight:
441.613g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
441.32g/mol
Monoisotopic Mass:
441.32g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
549
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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