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208183-73-7 | L-Tyrosine, L-asparaginyl-L-prolyl-L-leucyl-
CAS No: 208183-73-7 Catalog No: AG002JJG MDL No:
Product Description
Catalog Number:
AG002JJG
Chemical Name:
L-Tyrosine, L-asparaginyl-L-prolyl-L-leucyl-
CAS Number:
208183-73-7
Molecular Formula:
C24H35N5O7
Molecular Weight:
505.5640
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C24H35N5O7/c1-13(2)10-17(21(32)28-18(24(35)36)11-14-5-7-15(30)8-6-14)27-22(33)19-4-3-9-29(19)23(34)16(25)12-20(26)31/h5-8,13,16-19,30H,3-4,9-12,25H2,1-2H3,(H2,26,31)(H,27,33)(H,28,32)(H,35,36)/t16-,17-,18-,19-/m0/s1
InChI Key:
TUBAVYYITOKMAY-VJANTYMQSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)N)C
Properties
Complexity:
813
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
505.254g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
505.572g/mol
Monoisotopic Mass:
505.254g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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