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

Systemtic Name: 5-[2-(2-azanylethyldisulfanyl)ethylamino]-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(2-aminoethyldisulfanyl)ethylamino]-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[2-(2-aminoethyldisulfanyl)ethylamino]-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[2-(2-aminoethyldisulfanyl)ethylamino]-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[2-(2-aminoethyldisulfanyl)ethylamino]-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-valeric acid Formula: C23H29N9O5S2 MolecularWeight: 575.66366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N9O5S2/c24-7-9-38-39-10-8-26-17(33)6-5-16(22(36)37)30-20(34)13-1-3-14(4-2-13)27-11-15-12-28-19-18(29-15)21(35)32-23(25)31-19/h1-4,12,16,27H,5-11,24H2,(H,26,33)(H,30,34)(H,36,37)(H3,25,28,31,32,35)