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200116-81-0 | D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
CAS No: 200116-81-0 Catalog No: AG002CK0 MDL No:MFCD00236798
Product Description
Catalog Number:
AG002CK0
Chemical Name:
D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
CAS Number:
200116-81-0
Molecular Formula:
C19H30N4O5S
Molecular Weight:
426.5303
MDL Number:
MFCD00236798
IUPAC Name:
(2R)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid
InChI:
InChI=1S/C19H30N4O5S/c1-10-11(2)16(12(3)13-9-19(4,5)28-15(10)13)29(26,27)23-18(21)22-8-6-7-14(20)17(24)25/h14H,6-9,20H2,1-5H3,(H,24,25)(H3,21,22,23)/t14-/m1/s1
InChI Key:
GVIXTVCDNCXXSH-CQSZACIVSA-N
SMILES:
OC(=O)[C@@H](CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)N
EC Number:
606-420-6
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
426.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.532g/mol
Monoisotopic Mass:
426.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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