Lysine-iodoacetylmethotrexate

(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid

Also Known As: Lysine-iodoacetylmethotrexate|Lysine iodoacetylmethotrexate|Lysine-iodoacetyl-methotrexate|L-Lysine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N6-(iodoacetyl)-|(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-6-[(2-iodoacetyl)amino]hexanoic acid|N|A-(4-amino-4-deoxy-N10-methylpteroyl)-N|A-(iodoacetyl)-L-lysine|n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n6-(iodoacetyl)-l-lysine|N(alpha) (4-amino-4-deoxy-N(10)-methylpteroyl)-N(epsilon)-(iodoacetyl) lysine|N(alpha)-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(epsilon)-(iodoacetyl) lysine|N~2~-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N~6~-(1-hydroxy-2-iodoethylidene)-L-lysine|N~2~-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N~6~-(1-hydroxy-2-iodoethylidene)lysine

Molecular Formula	C23H28IN9O4
Molecular Weight	621.1309 g/mol
LogP	-0.6
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	621.1309
Monoisotopic Mass	621.1309
Heavy Atoms	37
Complexity	770.0

Chemical Identifiers

CAS Number	34086-67-4
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)CI)C(=O)O
InChIKey	NDRPUTRIAJPVPS-INIZCTEOSA-N