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114317-23-6 | L-Alanine, N-[N-(1-L-seryl-L-prolyl)-L-phenylalanyl]- (9CI)
CAS No: 114317-23-6 Catalog No: AG000B2Y MDL No:
Product Description
Catalog Number:
AG000B2Y
Chemical Name:
L-Alanine, N-[N-(1-L-seryl-L-prolyl)-L-phenylalanyl]- (9CI)
CAS Number:
114317-23-6
Molecular Formula:
C20H28N4O6
Molecular Weight:
420.4595
IUPAC Name:
2-[[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H28N4O6/c1-12(20(29)30)22-17(26)15(10-13-6-3-2-4-7-13)23-18(27)16-8-5-9-24(16)19(28)14(21)11-25/h2-4,6-7,12,14-16,25H,5,8-11,21H2,1H3,(H,22,26)(H,23,27)(H,29,30)
InChI Key:
GVRKOEFHVHRRRB-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1)N
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.201g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
420.466g/mol
Monoisotopic Mass:
420.201g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
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