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1228900-15-9 | D-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1228900-15-9 Catalog No: AG000JPH MDL No:MFCD01631664
Product Description
Catalog Number:
AG000JPH
Chemical Name:
D-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1228900-15-9
Molecular Formula:
C31H36N2O6
Molecular Weight:
532.6273
MDL Number:
MFCD01631664
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]propanoic acid
InChI:
InChI=1S/C31H36N2O6/c1-18(2)13-24(28-26(34)14-31(3,4)15-27(28)35)32-16-25(29(36)37)33-30(38)39-17-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-12,18,23,25,34H,13-17H2,1-4H3,(H,33,38)(H,36,37)/t25-/m1/s1
InChI Key:
LCZQXABUYLYUPK-RUZDIDTESA-N
SMILES:
O=C(N[C@@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)CC(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
977
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
532.257g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
532.637g/mol
Monoisotopic Mass:
532.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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