200,000+ products from a single source!
sales@angenechem.com
88090-89-5 | Phenylalanine, N-[[[4-(1H-purin-6-ylthio)butyl]amino]carbonyl]-
CAS No: 88090-89-5 Catalog No: AG004K00 MDL No:
Product Description
Catalog Number:
AG004K00
Chemical Name:
Phenylalanine, N-[[[4-(1H-purin-6-ylthio)butyl]amino]carbonyl]-
CAS Number:
88090-89-5
Molecular Formula:
C19H22N6O3S
Molecular Weight:
414.4814
IUPAC Name:
(2S)-3-phenyl-2-[4-(7H-purin-6-ylsulfanyl)butylcarbamoylamino]propanoic acid
InChI:
InChI=1S/C19H22N6O3S/c26-18(27)14(10-13-6-2-1-3-7-13)25-19(28)20-8-4-5-9-29-17-15-16(22-11-21-15)23-12-24-17/h1-3,6-7,11-12,14H,4-5,8-10H2,(H,26,27)(H2,20,25,28)(H,21,22,23,24)/t14-/m0/s1
InChI Key:
RPXVONRVHGOKIF-AWEZNQCLSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCCCSc1[nH]cnc2c1ncn2
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
414.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
414.484g/mol
Monoisotopic Mass:
414.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.