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81156-22-1 | L-Tyrosine, L-tyrosyl-L-seryl-L-lysyl-
CAS No: 81156-22-1 Catalog No: AG005FDB MDL No:
Product Description
Catalog Number:
AG005FDB
Chemical Name:
L-Tyrosine, L-tyrosyl-L-seryl-L-lysyl-
CAS Number:
81156-22-1
Molecular Formula:
C27H37N5O8
Molecular Weight:
559.6114
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C27H37N5O8/c28-12-2-1-3-21(25(37)31-22(27(39)40)14-17-6-10-19(35)11-7-17)30-26(38)23(15-33)32-24(36)20(29)13-16-4-8-18(34)9-5-16/h4-11,20-23,33-35H,1-3,12-15,28-29H2,(H,30,38)(H,31,37)(H,32,36)(H,39,40)/t20-,21-,22-,23-/m0/s1
InChI Key:
QOEPIMFTBPWZDZ-MLCQCVOFSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CO
Properties
Complexity:
815
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
559.264g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
559.62g/mol
Monoisotopic Mass:
559.264g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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