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200954-43-4 | L-Tyrosinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl- (9CI)
CAS No: 200954-43-4 Catalog No: AG002D3I MDL No:
Product Description
Catalog Number:
AG002D3I
Chemical Name:
L-Tyrosinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl- (9CI)
CAS Number:
200954-43-4
Molecular Formula:
C19H27N3O5
Molecular Weight:
377.4348
IUPAC Name:
tert-butyl (2S)-2-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H27N3O5/c1-19(2,3)27-18(26)22-10-4-5-15(22)17(25)21-14(16(20)24)11-12-6-8-13(23)9-7-12/h6-9,14-15,23H,4-5,10-11H2,1-3H3,(H2,20,24)(H,21,25)/t14-,15-/m0/s1
InChI Key:
AXMYGQXGTRHHES-GJZGRUSLSA-N
SMILES:
NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
377.195g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
377.441g/mol
Monoisotopic Mass:
377.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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