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798540-48-4 | L-Arginine, L-methionyl-L-prolyl-L-threonyl-
CAS No: 798540-48-4 Catalog No: AG005648 MDL No:
Product Description
Catalog Number:
AG005648
Chemical Name:
L-Arginine, L-methionyl-L-prolyl-L-threonyl-
CAS Number:
798540-48-4
Molecular Formula:
C20H37N7O6S
Molecular Weight:
503.6161
IUPAC Name:
(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C20H37N7O6S/c1-11(28)15(17(30)25-13(19(32)33)5-3-8-24-20(22)23)26-16(29)14-6-4-9-27(14)18(31)12(21)7-10-34-2/h11-15,28H,3-10,21H2,1-2H3,(H,25,30)(H,26,29)(H,32,33)(H4,22,23,24)/t11-,12+,13+,14+,15+/m1/s1
InChI Key:
LKGSGUNYWGGZCF-QTVXIADOSA-N
SMILES:
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)[C@H](O)C)N
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
503.253g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
503.619g/mol
Monoisotopic Mass:
503.253g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
252A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1
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