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102185-38-6 | L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-
CAS No: 102185-38-6 Catalog No: AG0006U7 MDL No:MFCD00043097
Product Description
Catalog Number:
AG0006U7
Chemical Name:
L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-
CAS Number:
102185-38-6
Molecular Formula:
C21H34N4O7S
Molecular Weight:
486.5823
MDL Number:
MFCD00043097
IUPAC Name:
(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C21H34N4O7S/c1-12-11-16(31-7)13(2)14(3)17(12)33(29,30)25-19(22)23-10-8-9-15(18(26)27)24-20(28)32-21(4,5)6/h11,15H,8-10H2,1-7H3,(H,24,28)(H,26,27)(H3,22,23,25)/t15-/m0/s1
InChI Key:
CXZHJRGYWGPJSD-HNNXBMFYSA-N
SMILES:
COc1cc(C)c(c(c1C)C)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
486.215g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
486.584g/mol
Monoisotopic Mass:
486.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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