2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-10-(disulfanyl)-5-oxidanylidene-decanoic acid

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)amino]phenyl]carbonylamino]-10-(disulfanyl)-5-oxidanylidene-decanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-10-(disulfanyl)-5-oxo-decanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]phenyl]-oxomethyl]amino]-10-(disulfanyl)-5-oxodecanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)amino]benzoyl]amino]-10-(disulfanyl)-5-oxodecanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)amino]benzoyl]amino]-10-(disulfanyl)-5-keto-capric acid Formula: C23H27N7O5S2 MolecularWeight: 545.63438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)CCCCCSS)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)CCCCCSS)C(=O)O)NC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C23H27N7O5S2/c24-23-29-19-18(21(33)30-23)28-17(12-25-19)26-14-7-5-13(6-8-14)20(32)27-16(22(34)35)10-9-15(31)4-2-1-3-11-37-36/h5-8,12,16,36H,1-4,9-11H2,(H,26,28)(H,27,32)(H,34,35)(H3,24,25,29,30,33)