Home Carbonyls N-alpha-(4-4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-delta-(9-fluorenylmethyloxycarbonyl)-L-ornithine

N-alpha-(4-4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-delta-(9-fluorenylmethyloxycarbonyl)-L-ornithine

CAS No.:
1423017-87-1
Catalog Number:
AG00HWFV
Molecular Formula:
C30H34N2O6
Molecular Weight:
518.6008
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Product Description
Catalog Number:
AG00HWFV
Chemical Name:
N-alpha-(4-4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-delta-(9-fluorenylmethyloxycarbonyl)-L-ornithine
CAS Number:
1423017-87-1
Molecular Formula:
C30H34N2O6
Molecular Weight:
518.6008
MDL Number:
MFCD06796885
IUPAC Name:
(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]pentanoic acid
InChI:
InChI=1S/C30H34N2O6/c1-18(27-25(33)15-30(2,3)16-26(27)34)32-24(28(35)36)13-8-14-31-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,33H,8,13-17H2,1-3H3,(H,31,37)(H,35,36)/t24-/m0/s1
InChI Key:
IOXWJOGKQWRDEE-DEOSSOPVSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCC[C@@H](C(=O)O)NC(=C1C(=O)CC(CC1=O)(C)C)C C30H34N2O6
Properties
Complexity:
948  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
518.242g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
518.61g/mol
Monoisotopic Mass:
518.242g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties