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126828-33-9 | L-Leucine, L-leucyl-L-histidyl-
CAS No: 126828-33-9 Catalog No: AG000TBF MDL No:
Product Description
Catalog Number:
AG000TBF
Chemical Name:
L-Leucine, L-leucyl-L-histidyl-
CAS Number:
126828-33-9
Molecular Formula:
C18H31N5O4
Molecular Weight:
381.4698
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C18H31N5O4/c1-10(2)5-13(19)16(24)22-14(7-12-8-20-9-21-12)17(25)23-15(18(26)27)6-11(3)4/h8-11,13-15H,5-7,19H2,1-4H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/t13-,14-,15-/m0/s1
InChI Key:
CSFVADKICPDRRF-KKUMJFAQSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1nc[nH]c1)N)C
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
381.238g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
381.477g/mol
Monoisotopic Mass:
381.238g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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