Methotrexate-gamma-aspartate

(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid

Also Known As: Methotrexate-gamma-aspartate|Methotrexate-|A-aspartate|J1.630.744K|(2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid|L-Aspartic acid, N-[N-[4-[[(2,4-diamino-6-pteridinyl)methyl]|n-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-l-|A-glutamyl-l-aspartic acid|((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoyl)-L-aspartic acid|N-[4-[Methyl(2,4-diaminopteridine-6-ylmethyl)amino]benzoyl]-gammaGlu-Asp-OH|(2S)-2-(((4S)-4-((4-((2,4-BIS(AZANYL)PTERIDIN-6-YL)METHYL-METHYL-AMINO)PHENYL)CARBONYLAMINO)-5-OXIDANYL-5-OXIDANYLIDENE-PENTANOYL)AMINO)BUTANEDIOIC ACID|(2S)-2-[(4S)-4-carboxy-4-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]butanamido]butanedioic acid|(2S)-2-[[(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]butanedioic acid|2-[[4-Carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanedioic acid|L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-gamma-glutamyl)-|L-Aspartic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-gamma-glutamyl-|L-Aspartic acid, N-[N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-gamma-glutamyl]-

Molecular Formula	C24H27N9O8
Molecular Weight	569.19824 g/mol
LogP	-0.77
Topological Polar Surface Area	276.94 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	569.19824
Heavy Atoms	41
Complexity	1482.0

Chemical Identifiers

CAS Number	64801-58-7
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O