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834899-40-0 | L-Phenylalanine, L-leucyl-L-leucyl-L-phenylalanyl-
CAS No: 834899-40-0 Catalog No: AG0050N1 MDL No:
Product Description
Catalog Number:
AG0050N1
Chemical Name:
L-Phenylalanine, L-leucyl-L-leucyl-L-phenylalanyl-
CAS Number:
834899-40-0
Molecular Formula:
C30H42N4O5
Molecular Weight:
538.6783
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C30H42N4O5/c1-19(2)15-23(31)27(35)32-24(16-20(3)4)28(36)33-25(17-21-11-7-5-8-12-21)29(37)34-26(30(38)39)18-22-13-9-6-10-14-22/h5-14,19-20,23-26H,15-18,31H2,1-4H3,(H,32,35)(H,33,36)(H,34,37)(H,38,39)/t23-,24-,25-,26-/m0/s1
InChI Key:
WTYDRVZIXIRSNG-CQJMVLFOSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
538.316g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
538.689g/mol
Monoisotopic Mass:
538.316g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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