Lysine-methotrexate

Name: Lysine-methotrexate
CAS#: 80407-56-3
Chemical Formula: C21H27N9O3
Exact Mass: 453.2237
Molecular Weight: 453.51
Elemental Analysis: C, 55.62; H, 6.00; N, 27.80; O, 10.58

Description: Lysine-methotrexate is an anticancer drug. It is the lysine analog of methotrexate; inhibitor of dihydrofolate reductase.

IUPAC/Chemical Name: L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-

InChi Key: XERJQLWAFDLUGV-HNNXBMFYSA-N

InChi Code: InChI=1S/C21H27N9O3/c1-30(11-13-10-25-18-16(26-13)17(23)28-21(24)29-18)14-7-5-12(6-8-14)19(31)27-15(20(32)33)4-2-3-9-22/h5-8,10,15H,2-4,9,11,22H2,1H3,(H,27,31)(H,32,33)(H4,23,24,25,28,29)/t15-/m0/s1

SMILES Code: NCCCC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O

Appearance: Solid powder