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

Systemtic Name: 5-(2-azanylethylamino)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-aminoethylamino)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(2-aminoethylamino)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(2-aminoethylamino)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-(2-aminoethylamino)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-valeric acid Formula: C21H25N9O5 MolecularWeight: 483.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N9O5/c22-7-8-24-15(31)6-5-14(20(34)35)28-18(32)11-1-3-12(4-2-11)25-9-13-10-26-17-16(27-13)19(33)30-21(23)29-17/h1-4,10,14,25H,5-9,22H2,(H,24,31)(H,28,32)(H,34,35)(H3,23,26,29,30,33)