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114414-90-3 | L-Alanine, N-[N-[1-(N-glycyl-L-alanyl)-L-prolyl]glycyl]- (9CI)
CAS No: 114414-90-3 Catalog No: AG000BAT MDL No:
Product Description
Catalog Number:
AG000BAT
Chemical Name:
L-Alanine, N-[N-[1-(N-glycyl-L-alanyl)-L-prolyl]glycyl]- (9CI)
CAS Number:
114414-90-3
Molecular Formula:
C15H25N5O6
Molecular Weight:
371.3889
IUPAC Name:
2-[[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C15H25N5O6/c1-8(18-11(21)6-16)14(24)20-5-3-4-10(20)13(23)17-7-12(22)19-9(2)15(25)26/h8-10H,3-7,16H2,1-2H3,(H,17,23)(H,18,21)(H,19,22)(H,25,26)
InChI Key:
CIFLZBDBMXVVNH-UHFFFAOYSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.18g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
371.394g/mol
Monoisotopic Mass:
371.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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