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Home > Fluorides > 1198321-33-3
1198321-33-3 | L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1198321-33-3 Catalog No: AG000PQ8 MDL No:MFCD03788161
Product Description
Catalog Number:
AG000PQ8
Chemical Name:
L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1198321-33-3
Molecular Formula:
C33H40N2O6
Molecular Weight:
560.6805
MDL Number:
MFCD03788161
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]pentanoic acid
InChI:
InChI=1S/C33H40N2O6/c1-20(2)16-27(30-28(36)17-33(3,4)18-29(30)37)34-15-9-14-26(31(38)39)35-32(40)41-19-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,20,25-26,36H,9,14-19H2,1-4H3,(H,35,40)(H,38,39)/t26-/m0/s1
InChI Key:
FEZWSEOHAQFMBS-SANMLTNESA-N
SMILES:
CC(CC(=C1C(=O)CC(CC1=O)(C)C)NCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
560.289g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
560.691g/mol
Monoisotopic Mass:
560.289g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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