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140716-09-2 | L-Glutamic acid, L-leucyl-L-histidyl-
CAS No: 140716-09-2 Catalog No: AG001CQ8 MDL No:
Product Description
Catalog Number:
AG001CQ8
Chemical Name:
L-Glutamic acid, L-leucyl-L-histidyl-
CAS Number:
140716-09-2
Molecular Formula:
C17H27N5O6
Molecular Weight:
397.4262
IUPAC Name:
2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C17H27N5O6/c1-9(2)5-11(18)15(25)22-13(6-10-7-19-8-20-10)16(26)21-12(17(27)28)3-4-14(23)24/h7-9,11-13H,3-6,18H2,1-2H3,(H,19,20)(H,21,26)(H,22,25)(H,23,24)(H,27,28)
InChI Key:
KXODZBLFVFSLAI-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1c[nH]cn1)N)C
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.196g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
397.432g/mol
Monoisotopic Mass:
397.196g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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