4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid Openeye Name: 4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C22H24N8O7S MolecularWeight: 544.54036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C22H24N8O7S/c23-22-29-17-16(20(35)30-22)26-12(8-25-17)7-24-11-3-1-10(2-4-11)18(33)27-13(5-6-15(31)32)19(34)28-14(9-38)21(36)37/h1-4,8,13-14,24,38H,5-7,9H2,(H,27,33)(H,28,34)(H,31,32)(H,36,37)(H3,23,25,29,30,35)