5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethylamino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[[4-[2-(2,4-diamino-6-pteridinyl)ethylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethylamino]benzoyl]amino]-5-keto-valeric acid Formula: C28H38N12O7 MolecularWeight: 654.67752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])C(=O)O)NCCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)NCCOCCOCCOCCN=[N+]=[N-])C(=O)O)NCCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C28H38N12O7/c29-24-23-25(39-28(30)38-24)34-17-20(36-23)7-8-32-19-3-1-18(2-4-19)26(42)37-21(27(43)44)5-6-22(41)33-9-11-45-13-15-47-16-14-46-12-10-35-40-31/h1-4,17,21,32H,5-16H2,(H,33,41)(H,37,42)(H,43,44)(H4,29,30,34,38,39)