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834899-50-2 | L-Leucine, L-phenylalanyl-L-leucyl-L-leucyl-L-phenylalanyl-
CAS No: 834899-50-2 Catalog No: AG004VI2 MDL No:
Product Description
Catalog Number:
AG004VI2
Chemical Name:
L-Leucine, L-phenylalanyl-L-leucyl-L-leucyl-L-phenylalanyl-
CAS Number:
834899-50-2
Molecular Formula:
C36H53N5O6
Molecular Weight:
651.8359
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C36H53N5O6/c1-22(2)17-28(38-32(42)27(37)20-25-13-9-7-10-14-25)33(43)39-29(18-23(3)4)34(44)40-30(21-26-15-11-8-12-16-26)35(45)41-31(36(46)47)19-24(5)6/h7-16,22-24,27-31H,17-21,37H2,1-6H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)(H,46,47)/t27-,28-,29-,30-,31-/m0/s1
InChI Key:
RBKUOQGRMWIHDM-QKUYTOGTSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
651.4g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
651.849g/mol
Monoisotopic Mass:
651.4g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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