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23234-49-3 | L-Tyrosine, N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]- (9CI)
CAS No: 23234-49-3 Catalog No: AG002MM7 MDL No:
Product Description
Catalog Number:
AG002MM7
Chemical Name:
L-Tyrosine, N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]- (9CI)
CAS Number:
23234-49-3
Molecular Formula:
C21H23N3O7
Molecular Weight:
429.4232
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C21H23N3O7/c25-16-8-6-14(7-9-16)10-17(20(28)29)24-19(27)12-22-18(26)11-23-21(30)31-13-15-4-2-1-3-5-15/h1-9,17,25H,10-13H2,(H,22,26)(H,23,30)(H,24,27)(H,28,29)/t17-/m0/s1
InChI Key:
PDWCXKALRLBBLG-KRWDZBQOSA-N
SMILES:
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
429.154g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
429.429g/mol
Monoisotopic Mass:
429.154g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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