Home Carbonyls (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[(4-nitrophenyl)carbamoyl]propanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[(4-nitrophenyl)carbamoyl]propanoic acid

CAS No.:
185547-52-8
Catalog Number:
AG0076SB
Molecular Formula:
C25H21N3O7
Molecular Weight:
475.4501
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 98% (HPLC)
1 week
United States
$111
- +
1g
≥ 98% (HPLC)
1 week
United States
$199
- +
5g
≥ 98% (HPLC)
1 week
United States
$711
- +
10g
≥ 98% (HPLC)
1 week
United States
$1281
- +
Product Description
Catalog Number:
AG0076SB
Chemical Name:
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[(4-nitrophenyl)carbamoyl]propanoic acid
CAS Number:
185547-52-8
Molecular Formula:
C25H21N3O7
Molecular Weight:
475.4501
MDL Number:
MFCD02179637
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitroanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C25H21N3O7/c29-23(30)13-22(24(31)26-15-9-11-16(12-10-15)28(33)34)27-25(32)35-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,31)(H,27,32)(H,29,30)/t22-/m0/s1
InChI Key:
WIGASSLCYMGNEA-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
770  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
475.138g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
475.457g/mol
Monoisotopic Mass:
475.138g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties