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83286-10-6 | L-Prolinamide, 2-methylalanyl-L-histidyl-
CAS No: 83286-10-6 Catalog No: AG004T19 MDL No:
Product Description
Catalog Number:
AG004T19
Chemical Name:
L-Prolinamide, 2-methylalanyl-L-histidyl-
CAS Number:
83286-10-6
Molecular Formula:
C15H24N6O3
Molecular Weight:
336.3895
IUPAC Name:
(2S)-1-[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C15H24N6O3/c1-15(2,17)14(24)20-10(6-9-7-18-8-19-9)13(23)21-5-3-4-11(21)12(16)22/h7-8,10-11H,3-6,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)/t10-,11-/m0/s1
InChI Key:
WPFHGEITNXUYMB-QWRGUYRKSA-N
SMILES:
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C(N)(C)C)Cc1c[nH]cn1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
336.191g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
336.396g/mol
Monoisotopic Mass:
336.191g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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