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125740-78-5 | L-Proline, L-valyl-L-valyl-L-arginyl-
CAS No: 125740-78-5 Catalog No: AG000OLU MDL No:
Product Description
Catalog Number:
AG000OLU
Chemical Name:
L-Proline, L-valyl-L-valyl-L-arginyl-
CAS Number:
125740-78-5
Molecular Formula:
C21H39N7O5
Molecular Weight:
469.5783
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C21H39N7O5/c1-11(2)15(22)17(29)27-16(12(3)4)18(30)26-13(7-5-9-25-21(23)24)19(31)28-10-6-8-14(28)20(32)33/h11-16H,5-10,22H2,1-4H3,(H,26,30)(H,27,29)(H,32,33)(H4,23,24,25)/t13-,14-,15-,16-/m0/s1
InChI Key:
LSYPKNDLSQXCBM-VGWMRTNUSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
469.301g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
469.587g/mol
Monoisotopic Mass:
469.301g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
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