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88513-50-2 | Glycine, N-[N-[N-[[2-(methylsulfonyl)ethoxy]carbonyl]-L-tyrosyl]glycyl]-
CAS No: 88513-50-2 Catalog No: AG0048K1 MDL No:
Product Description
Catalog Number:
AG0048K1
Chemical Name:
Glycine, N-[N-[N-[[2-(methylsulfonyl)ethoxy]carbonyl]-L-tyrosyl]glycyl]-
CAS Number:
88513-50-2
Molecular Formula:
C17H23N3O9S
Molecular Weight:
445.4442
IUPAC Name:
2-[[2-[[3-(4-hydroxyphenyl)-2-(2-methylsulfonylethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C17H23N3O9S/c1-30(27,28)7-6-29-17(26)20-13(8-11-2-4-12(21)5-3-11)16(25)19-9-14(22)18-10-15(23)24/h2-5,13,21H,6-10H2,1H3,(H,18,22)(H,19,25)(H,20,26)(H,23,24)
InChI Key:
ADESIXGNLJREOA-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)O)CNC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCCS(=O)(=O)C
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.116g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
445.443g/mol
Monoisotopic Mass:
445.116g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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