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1263046-84-9 | Butanoic acid, 2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-
CAS No: 1263046-84-9 Catalog No: AG000SJB MDL No:MFCD05663737
Product Description
Catalog Number:
AG000SJB
Chemical Name:
Butanoic acid, 2-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2R)-
CAS Number:
1263046-84-9
Molecular Formula:
C29H32N2O6
Molecular Weight:
504.5742
MDL Number:
MFCD05663737
IUPAC Name:
(2R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid
InChI:
InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)31-23(27(34)35)12-13-30-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,30,36)(H,34,35)/t23-/m1/s1
InChI Key:
BGQZWPYGWVUUEH-HSZRJFAPSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC[C@H](C(=O)O)NC(=C1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
932
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
504.226g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
504.583g/mol
Monoisotopic Mass:
504.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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