(2S)-2-[[(4S)-4-[[4-[(2-azanyl-8-methyl-4-oxidanylidene-1,7-dihydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(4S)-4-[[4-[(2-azanyl-8-methyl-4-oxidanylidene-1,7-dihydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(4S)-4-[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(4S)-4-[[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(4S)-4-[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(4S)-4-[[4-[(2-amino-4-keto-8-methyl-1,7-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C25H30N8O9 MolecularWeight: 586.5539

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC2=C1NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CN1CC(=NC2=C1NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H30N8O9/c1-33-11-14(28-19-20(33)31-25(26)32-22(19)38)10-27-13-4-2-12(3-5-13)21(37)30-16(24(41)42)6-8-17(34)29-15(23(39)40)7-9-18(35)36/h2-5,15-16,27H,6-11H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,39,40)(H,41,42)(H3,26,31,32,38)/t15-,16-/m0/s1