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113965-80-3 | L-Phenylalanine, L-valyl-L-isoleucyl-L-leucyl-
CAS No: 113965-80-3 Catalog No: AG000A6M MDL No:
Product Description
Catalog Number:
AG000A6M
Chemical Name:
L-Phenylalanine, L-valyl-L-isoleucyl-L-leucyl-
CAS Number:
113965-80-3
Molecular Formula:
C26H42N4O5
Molecular Weight:
490.6355
IUPAC Name:
2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C26H42N4O5/c1-7-17(6)22(30-24(32)21(27)16(4)5)25(33)28-19(13-15(2)3)23(31)29-20(26(34)35)14-18-11-9-8-10-12-18/h8-12,15-17,19-22H,7,13-14,27H2,1-6H3,(H,28,33)(H,29,31)(H,30,32)(H,34,35)
InChI Key:
ZWIAQRHFEPYPSF-UHFFFAOYSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)NC(=O)[C@H](C(C)C)N)C
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.316g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
490.645g/mol
Monoisotopic Mass:
490.316g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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