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823233-19-8 | L-Alanine, L-leucyl-L-seryl-L-leucyl-L-tyrosyl-
CAS No: 823233-19-8 Catalog No: AG005467 MDL No:
Product Description
Catalog Number:
AG005467
Chemical Name:
L-Alanine, L-leucyl-L-seryl-L-leucyl-L-tyrosyl-
CAS Number:
823233-19-8
Molecular Formula:
C27H43N5O8
Molecular Weight:
565.6590
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C27H43N5O8/c1-14(2)10-19(28)23(35)32-22(13-33)26(38)30-20(11-15(3)4)25(37)31-21(24(36)29-16(5)27(39)40)12-17-6-8-18(34)9-7-17/h6-9,14-16,19-22,33-34H,10-13,28H2,1-5H3,(H,29,36)(H,30,38)(H,31,37)(H,32,35)(H,39,40)/t16-,19-,20-,21-,22-/m0/s1
InChI Key:
UJUIEYCMQXLWTN-XSXWSVAESA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)CC(C)C)NC(=O)[C@H](CC(C)C)N
Properties
Complexity:
860
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
565.311g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
565.668g/mol
Monoisotopic Mass:
565.311g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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