AC1MHIIR

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

Also Known As: 6-MAB-Sarc-L-Glu|Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)sarcosyl)-, L-|N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)sarcosyl)-L-glutamic acid|N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-methylglycyl)-L-glutamic acid|L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-methylglycyl)-|N-[N-[4-[[(2,4-Diaminopteridin-6-yl)methyl]methylamino]benzoyl]sarcosyl]-L-glutamic acid|(2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-methylamino]acetyl]amino]pentanedioic acid|(2S)-2-{2-[1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)-N-METHYLFORMAMIDO]ACETAMIDO}PENTANEDIOIC ACID|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-N-methylglycyl-L-glutamic acid

Molecular Formula	C23H27N9O6
Molecular Weight	525.20844 g/mol
LogP	-0.2732
Topological Polar Surface Area	230.85 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	525.20844
Monoisotopic Mass	525.20844
Heavy Atoms	38
Complexity	1365.4907

Chemical Identifiers

CAS Number	68352-99-8
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O