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120075-24-3 | D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-
CAS No: 120075-24-3 Catalog No: AG000Q8Q MDL No:MFCD00065616
Product Description
Catalog Number:
AG000Q8Q
Chemical Name:
D-Ornithine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-
CAS Number:
120075-24-3
Molecular Formula:
C31H36N4O7S
Molecular Weight:
608.7051
MDL Number:
MFCD00065616
IUPAC Name:
(2R)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C31H36N4O7S/c1-18-16-27(41-4)19(2)20(3)28(18)43(39,40)35-30(32)33-15-9-14-26(29(36)37)34-31(38)42-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,16,25-26H,9,14-15,17H2,1-4H3,(H,34,38)(H,36,37)(H3,32,33,35)/t26-/m1/s1
InChI Key:
LKGHIEITYHYVED-AREMUKBSSA-N
SMILES:
COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=N)NCCC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
608.23g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
608.71g/mol
Monoisotopic Mass:
608.23g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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