Account (S)-2-((S)-4-Carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanamido)pentanedioic acid
- Catalog No. :
- ACQUHV647
- CAS No. :
- 41600-13-9
- Molecular Formula :
- C25H29N9O8
- Molecular Weight :
- 583.56
IUPAC Name:((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoyl)-L-glutamic acid
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Product Information
| Product Name | (S)-2-((S)-4-Carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanamido)pentanedioic acid |
|---|---|
| IUPAC Name | ((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanoyl)-L-glutamic acid |
| Molecular Formula | C25H29N9O8 |
| Molecular Weight | 583.56 |
| SMILES | CN(CC1=NC2=C(N)N=C(N)N=C2N=C1)C1=CC=C(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C=C1 |
| InChI Key | PIHMDTSRKDVWKE-HOTGVXAUSA-N |
| Synonym | Methotrexate Diglutamate Trifluoroacetate;Methotrexate Impurity 4;NSC 269401;NSC269401;NSC-269401;L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl-;Methotrexate Diglutamate;NSC-269401|||NSC 269401|||NSC269401 |
| CAS No. | 41600-13-9 |
Synthetic Route by SureRoute
2. ACQUHV647 Molecular Building Block Synthetic Route
(S)-2-((S)-4-Carboxy-4-((S)-4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)butanamido)butanamido)pentanedioic acid
N2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-N5,N5-dimethyl-L-glutamine
(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid hydrate(1:x)