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86825-92-5 | L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-2-methyl-
CAS No: 86825-92-5 Catalog No: AG004QYK MDL No:
Product Description
Catalog Number:
AG004QYK
Chemical Name:
L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-2-methyl-
CAS Number:
86825-92-5
Molecular Formula:
C17H24N6O4
Molecular Weight:
376.4103
IUPAC Name:
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-2-methylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C17H24N6O4/c1-17(16(18)27)5-2-6-23(17)15(26)12(7-10-8-19-9-20-10)22-14(25)11-3-4-13(24)21-11/h8-9,11-12H,2-7H2,1H3,(H2,18,27)(H,19,20)(H,21,24)(H,22,25)/t11-,12-,17-/m0/s1
InChI Key:
SCTHKZFDTGMAQE-PRXAMGSTSA-N
SMILES:
O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@@]1(C)C(=O)N)Cc1nc[nH]c1
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
376.186g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
376.417g/mol
Monoisotopic Mass:
376.186g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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