200,000+ products from a single source!
sales@angenechem.com
132750-98-2 | Benzeneacetic acid, α,α'-(1,3-propanediyldiimino)bis[2-hydroxy-3,5-dimethyl-, (R*,R*)- (9CI)
CAS No: 132750-98-2 Catalog No: AG00114I MDL No:
Product Description
Catalog Number:
AG00114I
Chemical Name:
Benzeneacetic acid, α,α'-(1,3-propanediyldiimino)bis[2-hydroxy-3,5-dimethyl-, (R*,R*)- (9CI)
CAS Number:
132750-98-2
Molecular Formula:
C23H30N2O6
Molecular Weight:
430.4941
IUPAC Name:
(2S)-2-[3-[[(S)-carboxy-(2-hydroxy-3,5-dimethylphenyl)methyl]amino]propylamino]-2-(2-hydroxy-3,5-dimethylphenyl)acetic acid
InChI:
InChI=1S/C23H30N2O6/c1-12-8-14(3)20(26)16(10-12)18(22(28)29)24-6-5-7-25-19(23(30)31)17-11-13(2)9-15(4)21(17)27/h8-11,18-19,24-27H,5-7H2,1-4H3,(H,28,29)(H,30,31)/t18-,19-/m0/s1
InChI Key:
OJVWNIOUUIQEBC-OALUTQOASA-N
SMILES:
Cc1cc(C)c(c(c1)[C@H](C(=O)O)NCCCN[C@H](c1cc(C)cc(c1O)C)C(=O)O)O
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
430.21g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
430.501g/mol
Monoisotopic Mass:
430.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.