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144137-74-6 | L-Glutamic acid, N-[N-(N-L-arginyl-L-alanyl)-L-histidyl]- (9CI)
CAS No: 144137-74-6 Catalog No: AG001IYZ MDL No:
Product Description
Catalog Number:
AG001IYZ
Chemical Name:
L-Glutamic acid, N-[N-(N-L-arginyl-L-alanyl)-L-histidyl]- (9CI)
CAS Number:
144137-74-6
Molecular Formula:
C20H33N9O7
Molecular Weight:
511.5321
IUPAC Name:
2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C20H33N9O7/c1-10(27-17(33)12(21)3-2-6-25-20(22)23)16(32)29-14(7-11-8-24-9-26-11)18(34)28-13(19(35)36)4-5-15(30)31/h8-10,12-14H,2-7,21H2,1H3,(H,24,26)(H,27,33)(H,28,34)(H,29,32)(H,30,31)(H,35,36)(H4,22,23,25)
InChI Key:
AGMZDQAEFBUCSA-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1c[nH]cn1)C)N
Properties
Complexity:
819
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.25g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
511.54g/mol
Monoisotopic Mass:
511.25g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
281A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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