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150571-01-0 | L-Tyrosine, N-[N-[(phenylmethoxy)carbonyl]-D-alanyl]- (9CI)
CAS No: 150571-01-0 Catalog No: AG001MQ6 MDL No:
Product Description
Catalog Number:
AG001MQ6
Chemical Name:
L-Tyrosine, N-[N-[(phenylmethoxy)carbonyl]-D-alanyl]- (9CI)
CAS Number:
150571-01-0
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
IUPAC Name:
(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C20H22N2O6/c1-13(21-20(27)28-12-15-5-3-2-4-6-15)18(24)22-17(19(25)26)11-14-7-9-16(23)10-8-14/h2-10,13,17,23H,11-12H2,1H3,(H,21,27)(H,22,24)(H,25,26)/t13-,17+/m1/s1
InChI Key:
INPGUDNBCHNMDV-DYVFJYSZSA-N
SMILES:
O=C(N[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C)OCc1ccccc1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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