2-[2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]ethanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]ethanoylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]-3-mercapto-propionic acid Formula: C19H20N8O5S MolecularWeight: 472.4777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N8O5S/c20-19-26-15-14(17(30)27-19)24-11(6-22-15)5-21-10-3-1-9(2-4-10)16(29)23-7-13(28)25-12(8-33)18(31)32/h1-4,6,12,21,33H,5,7-8H2,(H,23,29)(H,25,28)(H,31,32)(H3,20,22,26,27,30)