Home Carbonyls 1H-1,4-Benzodiazepine-1-acetic acid, 3-[[(9h-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-

1H-1,4-Benzodiazepine-1-acetic acid, 3-[[(9h-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-

CAS No.:
204322-85-0
Catalog Number:
AG0029F1
Molecular Formula:
C32H25N3O5
Molecular Weight:
531.5580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 97% (HPLC)
1 week
United States
$148
- +
250mg
≥ 97% (HPLC)
1 week
United States
$257
- +
1g
≥ 97% (HPLC)
1 week
United States
$477
- +
5g
≥ 97% (HPLC)
1 week
United States
$2121
- +
Product Description
Catalog Number:
AG0029F1
Chemical Name:
1H-1,4-Benzodiazepine-1-acetic acid, 3-[[(9h-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-2-oxo-5-phenyl-
CAS Number:
204322-85-0
Molecular Formula:
C32H25N3O5
Molecular Weight:
531.5580
MDL Number:
MFCD00273482
IUPAC Name:
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid
InChI:
InChI=1S/C32H25N3O5/c36-28(37)18-35-27-17-9-8-16-25(27)29(20-10-2-1-3-11-20)33-30(31(35)38)34-32(39)40-19-26-23-14-6-4-12-21(23)22-13-5-7-15-24(22)26/h1-17,26,30H,18-19H2,(H,34,39)(H,36,37)
InChI Key:
WCXYOLGTVDFYTE-UHFFFAOYSA-N
SMILES:
O=C(NC1N=C(c2ccccc2)c2c(N(C1=O)CC(=O)O)cccc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
956  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.179g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
531.568g/mol
Monoisotopic Mass:
531.179g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties