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114702-60-2 | L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-tyrosyl-
CAS No: 114702-60-2 Catalog No: AG000F33 MDL No:
Product Description
Catalog Number:
AG000F33
Chemical Name:
L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-tyrosyl-
CAS Number:
114702-60-2
Molecular Formula:
C26H27N3O5
Molecular Weight:
461.5097
IUPAC Name:
benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C26H27N3O5/c27-24(31)22(15-18-7-3-1-4-8-18)28-25(32)23(16-19-11-13-21(30)14-12-19)29-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,30H,15-17H2,(H2,27,31)(H,28,32)(H,29,33)
InChI Key:
LEDLRKIFGGGGGI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.195g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
461.518g/mol
Monoisotopic Mass:
461.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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