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144678-04-6 | L-Phenylalanine, L-tyrosyl-L-seryl-
CAS No: 144678-04-6 Catalog No: AG001JZM MDL No:
Product Description
Catalog Number:
AG001JZM
Chemical Name:
L-Phenylalanine, L-tyrosyl-L-seryl-
CAS Number:
144678-04-6
Molecular Formula:
C21H25N3O6
Molecular Weight:
415.4397
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C21H25N3O6/c22-16(10-14-6-8-15(26)9-7-14)19(27)24-18(12-25)20(28)23-17(21(29)30)11-13-4-2-1-3-5-13/h1-9,16-18,25-26H,10-12,22H2,(H,23,28)(H,24,27)(H,29,30)/t16-,17-,18-/m0/s1
InChI Key:
HRHYJNLMIJWGLF-BZSNNMDCSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)O)N
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
415.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
415.446g/mol
Monoisotopic Mass:
415.174g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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