6-azanyl-2-[2-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]hexanoate

Systemtic Name: 6-azanyl-2-[2-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]hexanoate Openeye Name: 6-amino-2-[2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-hydroxy-3-oxo-propyl]hexanoate CAS Name: 6-amino-2-[2-[[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-3-hydroxy-3-oxopropyl]hexanoate IUPAC Name: 6-amino-2-[2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-hydroxy-3-oxopropyl]hexanoate Traditional Name: 6-amino-2-[2-[[4-[(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-hydroxy-3-keto-propyl]hexanoate Formula: C23H29N8O6- MolecularWeight: 513.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CC(CCCCN)C(=O)[O-])C(=O)O

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CC(CCCCN)C(=O)[O-])C(=O)O

InChI

InChI=1S/C23H30N8O6/c24-8-2-1-3-13(21(34)35)9-16(22(36)37)29-19(32)12-4-6-14(7-5-12)26-10-15-11-27-18-17(28-15)20(33)31-23(25)30-18/h4-7,13,16,26H,1-3,8-11,24H2,(H,29,32)(H,34,35)(H,36,37)(H4,25,27,30,31,33)/p-1