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832731-14-3 | L-Phenylalanine, L-leucyl-L-prolyl-L-leucyl-L-prolyl-
CAS No: 832731-14-3 Catalog No: AG0056HN MDL No:
Product Description
Catalog Number:
AG0056HN
Chemical Name:
L-Phenylalanine, L-leucyl-L-prolyl-L-leucyl-L-prolyl-
CAS Number:
832731-14-3
Molecular Formula:
C31H47N5O6
Molecular Weight:
585.7348
IUPAC Name:
(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C31H47N5O6/c1-19(2)16-22(32)29(39)35-14-8-12-25(35)27(37)33-23(17-20(3)4)30(40)36-15-9-13-26(36)28(38)34-24(31(41)42)18-21-10-6-5-7-11-21/h5-7,10-11,19-20,22-26H,8-9,12-18,32H2,1-4H3,(H,33,37)(H,34,38)(H,41,42)/t22-,23-,24-,25-,26-/m0/s1
InChI Key:
QKPIMGGQCGSSND-LROMGURASA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N)C
Properties
Complexity:
966
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
585.353g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
585.746g/mol
Monoisotopic Mass:
585.353g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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