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117085-60-6 | 1H-Indole-2-carboxylic acid, 1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-2,3-dihydro-, [S-(R*,R*)]- (9CI)
CAS No: 117085-60-6 Catalog No: AG000DOK MDL No:
Product Description
Catalog Number:
AG000DOK
Chemical Name:
1H-Indole-2-carboxylic acid, 1-[6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-2,3-dihydro-, [S-(R*,R*)]- (9CI)
CAS Number:
117085-60-6
Molecular Formula:
C25H33N2O6P
Molecular Weight:
488.5131
IUPAC Name:
1-[6-amino-2-[hydroxy(4-phenylbutyl)phosphoryl]oxyhexanoyl]-2,3-dihydroindole-2-carboxylic acid
InChI:
InChI=1S/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-5,10-11,13-14,22-23H,6-9,12,15-18,26H2,(H,29,30)(H,31,32)
InChI Key:
YNBOYTXJMIRRSS-UHFFFAOYSA-N
SMILES:
NCCCCC(C(=O)N1C(Cc2c1cccc2)C(=O)O)OP(=O)(CCCCc1ccccc1)O
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.208g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
488.521g/mol
Monoisotopic Mass:
488.208g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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