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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-(2-bromanylethanoylamino)pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-bromoacetyl)amino]pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-[(2-bromo-1-oxoethyl)amino]pentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-bromoacetyl)amino]pentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[(2-bromoacetyl)amino]valeric acid Formula: C21H23BrN8O5 MolecularWeight: 547.36192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCNC(=O)CBr)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCCNC(=O)CBr)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H23BrN8O5/c22-8-15(31)24-7-1-2-14(20(34)35)28-18(32)11-3-5-12(6-4-11)25-9-13-10-26-17-16(27-13)19(33)30-21(23)29-17/h3-6,10,14,25H,1-2,7-9H2,(H,24,31)(H,28,32)(H,34,35)(H3,23,26,29,30,33)