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918313-87-8 | L-Leucine, N,N',N''-[1,3,5-benzenetriyltris(methylene)]tris-
CAS No: 918313-87-8 Catalog No: AG006GCZ MDL No:
Product Description
Catalog Number:
AG006GCZ
Chemical Name:
L-Leucine, N,N',N''-[1,3,5-benzenetriyltris(methylene)]tris-
CAS Number:
918313-87-8
Molecular Formula:
C27H45N3O6
Molecular Weight:
507.6627
IUPAC Name:
(2S)-2-[[3,5-bis[[[(1S)-1-carboxy-3-methylbutyl]amino]methyl]phenyl]methylamino]-4-methylpentanoic acid
InChI:
InChI=1S/C27H45N3O6/c1-16(2)7-22(25(31)32)28-13-19-10-20(14-29-23(26(33)34)8-17(3)4)12-21(11-19)15-30-24(27(35)36)9-18(5)6/h10-12,16-18,22-24,28-30H,7-9,13-15H2,1-6H3,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1
InChI Key:
PUKODWNZLMIGJL-HJOGWXRNSA-N
SMILES:
CC(C[C@@H](C(=O)O)NCc1cc(CN[C@H](C(=O)O)CC(C)C)cc(c1)CN[C@H](C(=O)O)CC(C)C)C
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
507.331g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
507.672g/mol
Monoisotopic Mass:
507.331g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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