Products 6164-84-7

CAS 6164-84-7 is the registry number for Pteropterin (monohydrate). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid;hydrate (CAS 6164-84-7) is a chemical compound with the molecular formula C29H35N9O13 and a molecular weight of 717.6 g/mol. IUPAC name: (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid;hydrate. InChIKey: ILEFWSCMCKEENJ-UVJOBNTFSA-N.

Identity
Molecular formulaC29H35N9O13
Molecular weight717.6 g/mol
IUPAC name(2S)-2-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid;hydrate
InChIKeyILEFWSCMCKEENJ-UVJOBNTFSA-N
SMILESC1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N.O

Computed by PubChem (NCBI)