4-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-2-methylidene-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-2-methylidene-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 4-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-2-methylene-5-oxo-pentanoate CAS Name: 4-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-2-methylene-5-oxopentanoate IUPAC Name: 4-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-2-methylidene-5-oxopentanoate Traditional Name: 2-[2-[[4-[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-3-hydroxy-3-keto-propyl]acrylate Formula: C20H22N7O6- MolecularWeight: 456.43198

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2CNC3=C(N2)C(=O)N=C(N3)N)C(=O)[O-]

Isomeric SMILES

C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2CNC3=C(N2)C(=O)N=C(N3)N)C(=O)[O-]

InChI

InChI=1S/C20H23N7O6/c1-9(18(30)31)6-13(19(32)33)25-16(28)10-2-4-11(5-3-10)22-7-12-8-23-15-14(24-12)17(29)27-20(21)26-15/h2-5,12-13,22,24H,1,6-8H2,(H,25,28)(H,30,31)(H,32,33)(H4,21,23,26,27,29)/p-1