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1263047-22-8 | Butanoic acid, 4-[(2,4-dinitrophenyl)amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 1263047-22-8 Catalog No: AG000SJ9 MDL No:MFCD01632074
Product Description
Catalog Number:
AG000SJ9
Chemical Name:
Butanoic acid, 4-[(2,4-dinitrophenyl)amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
1263047-22-8
Molecular Formula:
C25H22N4O8
Molecular Weight:
506.4642
MDL Number:
MFCD01632074
IUPAC Name:
(2S)-4-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C25H22N4O8/c30-24(31)22(11-12-26-21-10-9-15(28(33)34)13-23(21)29(35)36)27-25(32)37-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,13,20,22,26H,11-12,14H2,(H,27,32)(H,30,31)/t22-/m0/s1
InChI Key:
HBHWAVNNODKLBE-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
506.144g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
506.471g/mol
Monoisotopic Mass:
506.144g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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