(N-(4-amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid


CAS No. : 108743-20-0

(N-(4-amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid,108743-20-0
Product Details
Cat No:M013375
Synonyms:(N-(4-amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
Molecular Formula:C20H20ClN9O4
Molecular Weight:485.889
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Cat No:M013375
Cas No:108743-20-0
Product-Name:(N-(4-amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
IUPAC Name:(2S)-2-[(5S)-3-chloro-4,5-dihydro-1,2-oxazol-5-yl]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
InChI:InChI=1S/C20H20ClN9O4/c1-30(8-10-7-24-17-15(25-10)16(22)27-20(23)28-17)11-4-2-9(3-5-11)18(31)26-14(19(32)33)12-6-13(21)29-34-12/h2-5,7,12,14H,6,8H2,1H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t12-,14-/m0/s1
InChIKey:KIHCGQIJXRDSSP-JSGCOSHPSA-N
SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(C4CC(=NO4)Cl)C(=O)O
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