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114681-36-6 | L-Phenylalanine, N-[1-(N-L-phenylalanylglycyl)-L-prolyl]- (9CI)
CAS No: 114681-36-6 Catalog No: AG000F0P MDL No:
Product Description
Catalog Number:
AG000F0P
Chemical Name:
L-Phenylalanine, N-[1-(N-L-phenylalanylglycyl)-L-prolyl]- (9CI)
CAS Number:
114681-36-6
Molecular Formula:
C25H30N4O5
Molecular Weight:
466.5295
IUPAC Name:
2-[[1-[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C25H30N4O5/c26-19(14-17-8-3-1-4-9-17)23(31)27-16-22(30)29-13-7-12-21(29)24(32)28-20(25(33)34)15-18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16,26H2,(H,27,31)(H,28,32)(H,33,34)
InChI Key:
VPPZSJAIIPGZTD-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
718
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.222g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
466.538g/mol
Monoisotopic Mass:
466.222g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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