5-azanyl-2-[azanyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanoic acid

Systemtic Name: 5-azanyl-2-[azanyl-[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-amino]pentanoic acid Openeye Name: 5-amino-2-[amino-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: 5-amino-2-[amino-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[amino-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: 5-amino-2-[amino-[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]valeric acid Formula: C19H23N9O4 MolecularWeight: 441.44382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C(CCCN)C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C(CCCN)C(=O)O)N)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H23N9O4/c20-7-1-2-13(18(31)32)28(22)17(30)10-3-5-11(6-4-10)23-8-12-9-24-15-14(25-12)16(29)27-19(21)26-15/h3-6,9,13,23H,1-2,7-8,20,22H2,(H,31,32)(H3,21,24,26,27,29)