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20448-71-9

20448-71-9 | L-Serine, N-[N-[(phenylmethoxy)carbonyl]-L-tyrosyl]- (9CI)

CAS No: 20448-71-9 Catalog No: AG0029IV MDL No:

Product Description

Catalog Number:
AG0029IV
Chemical Name:
L-Serine, N-[N-[(phenylmethoxy)carbonyl]-L-tyrosyl]- (9CI)
CAS Number:
20448-71-9
Molecular Formula:
C20H22N2O7
Molecular Weight:
402.3979
IUPAC Name:
(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H22N2O7/c23-11-17(19(26)27)21-18(25)16(10-13-6-8-15(24)9-7-13)22-20(28)29-12-14-4-2-1-3-5-14/h1-9,16-17,23-24H,10-12H2,(H,21,25)(H,22,28)(H,26,27)/t16-,17-/m0/s1
InChI Key:
LZMMFOXOCHALJU-IRXDYDNUSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1

Properties

Complexity:
543  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
402.143g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
402.403g/mol
Monoisotopic Mass:
402.143g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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