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162435-91-8 | L-Arginine, N-methyl-D-phenylalanyl-L-prolyl-
CAS No: 162435-91-8 Catalog No: AG001T63 MDL No:
Product Description
Catalog Number:
AG001T63
Chemical Name:
L-Arginine, N-methyl-D-phenylalanyl-L-prolyl-
CAS Number:
162435-91-8
Molecular Formula:
C21H32N6O4
Molecular Weight:
432.5166
IUPAC Name:
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
InChI:
InChI=1S/C21H32N6O4/c1-24-16(13-14-7-3-2-4-8-14)19(29)27-12-6-10-17(27)18(28)26-15(20(30)31)9-5-11-25-21(22)23/h2-4,7-8,15-17,24H,5-6,9-13H2,1H3,(H,26,28)(H,30,31)(H4,22,23,25)/t15-,16-,17-/m0/s1
InChI Key:
LVCPRLFCRFDKSQ-ULQDDVLXSA-N
SMILES:
CN[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1ccccc1
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
432.249g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
432.525g/mol
Monoisotopic Mass:
432.249g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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