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845509-89-9 | L-Alanine, L-phenylalanyl-L-seryl-L-tyrosyl-
CAS No: 845509-89-9 Catalog No: AG004RA5 MDL No:
Product Description
Catalog Number:
AG004RA5
Chemical Name:
L-Alanine, L-phenylalanyl-L-seryl-L-tyrosyl-
CAS Number:
845509-89-9
Molecular Formula:
C24H30N4O7
Molecular Weight:
486.5176
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C24H30N4O7/c1-14(24(34)35)26-22(32)19(12-16-7-9-17(30)10-8-16)27-23(33)20(13-29)28-21(31)18(25)11-15-5-3-2-4-6-15/h2-10,14,18-20,29-30H,11-13,25H2,1H3,(H,26,32)(H,27,33)(H,28,31)(H,34,35)/t14-,18-,19-,20-/m0/s1
InChI Key:
FCGDANDPFTZTHO-DSYPUSFNSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
486.211g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
486.525g/mol
Monoisotopic Mass:
486.211g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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