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144119-88-0 | L-Prolinamide, D-phenylalanyl-N-(1-phosphonopentyl)- (9CI)
CAS No: 144119-88-0 Catalog No: AG001IY8 MDL No:
Product Description
Catalog Number:
AG001IY8
Chemical Name:
L-Prolinamide, D-phenylalanyl-N-(1-phosphonopentyl)- (9CI)
CAS Number:
144119-88-0
Molecular Formula:
C19H30N3O5P
Molecular Weight:
411.4324
IUPAC Name:
1-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]pentylphosphonic acid
InChI:
InChI=1S/C19H30N3O5P/c1-2-3-11-17(28(25,26)27)21-18(23)16-10-7-12-22(16)19(24)15(20)13-14-8-5-4-6-9-14/h4-6,8-9,15-17H,2-3,7,10-13,20H2,1H3,(H,21,23)(H2,25,26,27)
InChI Key:
FBLXZDMLTAYQFF-UHFFFAOYSA-N
SMILES:
CCCCC(P(=O)(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.192g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
411.439g/mol
Monoisotopic Mass:
411.192g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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