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868046-87-1 | L-Arginine, L-arginyl-L-arginyl-L-valyl-
CAS No: 868046-87-1 Catalog No: AG004J35 MDL No:
Product Description
Catalog Number:
AG004J35
Chemical Name:
L-Arginine, L-arginyl-L-arginyl-L-valyl-
CAS Number:
868046-87-1
Molecular Formula:
C23H47N13O5
Molecular Weight:
585.7034
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C23H47N13O5/c1-12(2)16(19(39)35-15(20(40)41)8-5-11-33-23(29)30)36-18(38)14(7-4-10-32-22(27)28)34-17(37)13(24)6-3-9-31-21(25)26/h12-16H,3-11,24H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)(H,40,41)(H4,25,26,31)(H4,27,28,32)(H4,29,30,33)/t13-,14-,15-,16-/m0/s1
InChI Key:
OVLRJDNYNRDPBI-VGWMRTNUSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)C(C)C)NC(=O)[C@H](CCCNC(=N)N)N
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
585.382g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
585.715g/mol
Monoisotopic Mass:
585.382g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
344A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8
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