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211119-58-3 | L-Threonine, L-arginyl-L-glutaminyl-L-lysyl-
CAS No: 211119-58-3 Catalog No: AG002L5Z MDL No:
Product Description
Catalog Number:
AG002L5Z
Chemical Name:
L-Threonine, L-arginyl-L-glutaminyl-L-lysyl-
CAS Number:
211119-58-3
Molecular Formula:
C21H41N9O7
Molecular Weight:
531.6063
IUPAC Name:
(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C21H41N9O7/c1-11(31)16(20(36)37)30-19(35)13(6-2-3-9-22)29-18(34)14(7-8-15(24)32)28-17(33)12(23)5-4-10-27-21(25)26/h11-14,16,31H,2-10,22-23H2,1H3,(H2,24,32)(H,28,33)(H,29,34)(H,30,35)(H,36,37)(H4,25,26,27)/t11-,12+,13+,14+,16+/m1/s1
InChI Key:
RAGLJGXOJBOGDX-BLDNINTCSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCC(=O)N
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
531.313g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
531.615g/mol
Monoisotopic Mass:
531.313g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7
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