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200124-22-7 | L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 200124-22-7 Catalog No: AG002CJV MDL No:MFCD00236821
Product Description
Catalog Number:
AG002CJV
Chemical Name:
L-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-N2-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
200124-22-7
Molecular Formula:
C24H38N4O7S
Molecular Weight:
526.6461
MDL Number:
MFCD00236821
IUPAC Name:
(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C24H38N4O7S/c1-13-14(2)19(15(3)16-12-24(7,8)34-18(13)16)36(32,33)28-21(25)26-11-9-10-17(20(29)30)27-22(31)35-23(4,5)6/h17H,9-12H2,1-8H3,(H,27,31)(H,29,30)(H3,25,26,28)/t17-/m0/s1
InChI Key:
CVFXPOKENLGCID-KRWDZBQOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C
Properties
Complexity:
939
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
526.246g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
526.649g/mol
Monoisotopic Mass:
526.246g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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