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80705-44-8 | D-Alaninamide, L-tyrosyl-N-(3-phenylpropyl)-
CAS No: 80705-44-8 Catalog No: AG005JXB MDL No:
Product Description
Catalog Number:
AG005JXB
Chemical Name:
D-Alaninamide, L-tyrosyl-N-(3-phenylpropyl)-
CAS Number:
80705-44-8
Molecular Formula:
C21H27N3O3
Molecular Weight:
369.4574
IUPAC Name:
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
InChI:
InChI=1S/C21H27N3O3/c1-15(20(26)23-13-5-8-16-6-3-2-4-7-16)24-21(27)19(22)14-17-9-11-18(25)12-10-17/h2-4,6-7,9-12,15,19,25H,5,8,13-14,22H2,1H3,(H,23,26)(H,24,27)/t15-,19+/m1/s1
InChI Key:
CXYKKPSGJGNANU-BEFAXECRSA-N
SMILES:
O=C([C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)NCCCc1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
369.205g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
369.465g/mol
Monoisotopic Mass:
369.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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