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83579-05-9 | Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-N-(2-phenylethyl)-
CAS No: 83579-05-9 Catalog No: AG004UFE MDL No:
Product Description
Catalog Number:
AG004UFE
Chemical Name:
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-N-(2-phenylethyl)-
CAS Number:
83579-05-9
Molecular Formula:
C31H37N5O5
Molecular Weight:
559.6560
IUPAC Name:
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-3-phenylpropan-2-yl]amino]propan-2-yl]propanamide
InChI:
InChI=1S/C31H37N5O5/c1-21(35-30(40)26(32)18-24-12-14-25(37)15-13-24)29(39)36-27(19-23-10-6-3-7-11-23)31(41)34-20-28(38)33-17-16-22-8-4-2-5-9-22/h2-15,21,26-27,37H,16-20,32H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t21-,26+,27+/m1/s1
InChI Key:
NDLJXQAHKHQCKP-AIGMYPEUSA-N
SMILES:
O=C(CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)C)Cc1ccccc1)NCCc1ccccc1
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
559.279g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
559.667g/mol
Monoisotopic Mass:
559.279g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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