4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate; (2R)-2-azanyl-3-sulfanyl-propanoic acid

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate; (2R)-2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate; (2R)-2-amino-3-sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-mercaptopropanoic acid; 4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentanoate IUPAC Name: 4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate; (2R)-2-amino-3-sulfanylpropanoic acid Traditional Name: 4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-valerate; (2R)-2-amino-3-mercapto-propionic acid Formula: C22H25N8O8S- MolecularWeight: 561.5477

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C(C(C(=O)O)N)S

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)[O-])C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C([C@@H](C(=O)O)N)S

InChI

InChI=1S/C19H19N7O6.C3H7NO2S/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;4-2(1-7)3(5)6/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);2,7H,1,4H2,(H,5,6)/p-1/t;2-/m.0/s1