200,000+ products from a single source!
sales@angenechem.com
82214-96-8 | (2S)-2-[[4-[(3,5-DIAMINO-9-METHYL-10-THIA-2,4,7-TRIAZABICYCLO[4.4.0]DE CA-1,3,5,7-TETRAEN-8-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOIC ACID
CAS No: 82214-96-8 Catalog No: AG005H66 MDL No:
Product Description
Catalog Number:
AG005H66
Chemical Name:
(2S)-2-[[4-[(3,5-DIAMINO-9-METHYL-10-THIA-2,4,7-TRIAZABICYCLO[4.4.0]DE CA-1,3,5,7-TETRAEN-8-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOIC ACID
CAS Number:
82214-96-8
Molecular Formula:
C21H25N7O5S
Molecular Weight:
487.5321
IUPAC Name:
(2S)-2-[[4-[(2,4-diamino-7-methyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C21H25N7O5S/c1-10-14(24-16-17(22)26-21(23)27-19(16)34-10)9-28(2)12-5-3-11(4-6-12)18(31)25-13(20(32)33)7-8-15(29)30/h3-6,10,13H,7-9H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,22,23,26,27)/t10?,13-/m0/s1
InChI Key:
YHDMLNLRHIHUFB-HQVZTVAUSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(CC1=Nc2c(N)nc(nc2SC1C)N)C
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
487.164g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
487.535g/mol
Monoisotopic Mass:
487.164g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.