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114414-94-7 | L-Proline, glycyl-L-alanyl-L-prolylglycyl-L-alanyl- (9CI)
CAS No: 114414-94-7 Catalog No: AG000BAS MDL No:
Product Description
Catalog Number:
AG000BAS
Chemical Name:
L-Proline, glycyl-L-alanyl-L-prolylglycyl-L-alanyl- (9CI)
CAS Number:
114414-94-7
Molecular Formula:
C20H32N6O7
Molecular Weight:
468.5041
IUPAC Name:
1-[2-[[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C20H32N6O7/c1-11(23-15(27)9-21)18(30)25-7-3-5-13(25)17(29)22-10-16(28)24-12(2)19(31)26-8-4-6-14(26)20(32)33/h11-14H,3-10,21H2,1-2H3,(H,22,29)(H,23,27)(H,24,28)(H,32,33)
InChI Key:
BOCNKDYZIXSOKM-UHFFFAOYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)C
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.233g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
468.511g/mol
Monoisotopic Mass:
468.233g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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