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114102-28-2 | L-Threoninamide, L-tyrosyl-L-prolyl-L-phenylalanyl- (9CI)
CAS No: 114102-28-2 Catalog No: AG000AKW MDL No:
Product Description
Catalog Number:
AG000AKW
Chemical Name:
L-Threoninamide, L-tyrosyl-L-prolyl-L-phenylalanyl- (9CI)
CAS Number:
114102-28-2
Molecular Formula:
C27H35N5O6
Molecular Weight:
525.5967
IUPAC Name:
N-[1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C27H35N5O6/c1-16(33)23(24(29)35)31-25(36)21(15-17-6-3-2-4-7-17)30-26(37)22-8-5-13-32(22)27(38)20(28)14-18-9-11-19(34)12-10-18/h2-4,6-7,9-12,16,20-23,33-34H,5,8,13-15,28H2,1H3,(H2,29,35)(H,30,37)(H,31,36)
InChI Key:
SCOZZIKTFSCJRV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)Cc1ccccc1)N
Properties
Complexity:
827
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.259g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
525.606g/mol
Monoisotopic Mass:
525.259g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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