Home Aminos L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-

L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-

CAS No.:
146464-95-1
Catalog Number:
AG001E2I
Molecular Formula:
C23H23N7O5
Molecular Weight:
477.4726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$251
- +
50mg
99%
1 week
United States
$404
- +
100mg
≥98%
1 week
United States
$680
- +
Product Description
Catalog Number:
AG001E2I
Chemical Name:
L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]-3-butyn-1-yl]benzoyl]-
CAS Number:
146464-95-1
Molecular Formula:
C23H23N7O5
Molecular Weight:
477.4726
MDL Number:
MFCD00920897
IUPAC Name:
(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1
InChI Key:
OGSBUKJUDHAQEA-WMCAAGNKSA-N
SMILES:
C#CCC(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)O)Cc1cnc2c(n1)c(N)nc(n2)N
NSC Number:
754230
Properties
Complexity:
809  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
477.176g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
477.481g/mol
Monoisotopic Mass:
477.176g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
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Properties