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137605-62-0 | L-Alaninamide, N-acetyl-L-alanyl-L-prolyl-N-(1,1-dimethylethyl)- (9CI)
CAS No: 137605-62-0 Catalog No: AG0013MJ MDL No:
Product Description
Catalog Number:
AG0013MJ
Chemical Name:
L-Alaninamide, N-acetyl-L-alanyl-L-prolyl-N-(1,1-dimethylethyl)- (9CI)
CAS Number:
137605-62-0
Molecular Formula:
C17H30N4O4
Molecular Weight:
354.4445
IUPAC Name:
(2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C17H30N4O4/c1-10(14(23)20-17(4,5)6)19-15(24)13-8-7-9-21(13)16(25)11(2)18-12(3)22/h10-11,13H,7-9H2,1-6H3,(H,18,22)(H,19,24)(H,20,23)/t10-,11-,13-/m0/s1
InChI Key:
JSCATSFPYXONGG-GVXVVHGQSA-N
SMILES:
CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(C)(C)C)C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
354.227g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
354.451g/mol
Monoisotopic Mass:
354.227g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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