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16874-80-9 | L-Phenylalanine, L-arginyl-L-prolyl-
CAS No: 16874-80-9 Catalog No: AG001Y9M MDL No:
Product Description
Catalog Number:
AG001Y9M
Chemical Name:
L-Phenylalanine, L-arginyl-L-prolyl-
CAS Number:
16874-80-9
Molecular Formula:
C20H30N6O4
Molecular Weight:
418.4900
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C20H30N6O4/c21-14(8-4-10-24-20(22)23)18(28)26-11-5-9-16(26)17(27)25-15(19(29)30)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/t14-,15-,16-/m0/s1
InChI Key:
YFHATWYGAAXQCF-JYJNAYRXSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
418.233g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
418.498g/mol
Monoisotopic Mass:
418.233g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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