4-azanyl-5-[[5-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]oxy-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[5-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]propylamino]oxy-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-(phenylcarbonyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[benzoyl-[1-carboxy-4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]oxy-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[benzoyl-[5-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]oxy-1-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[benzoyl-[5-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)propylamino]oxy-1-hydroxy-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[benzoyl-[1-carboxy-4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)propylamino]oxy-4-keto-butyl]amino]-5-keto-valeric acid Formula: C24H31N7O9 MolecularWeight: 561.54444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C(CCC(=O)ONCCCC2=C(NC(=NC2=O)N)N)C(=O)O)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C(CCC(=O)ONCCCC2=C(NC(=NC2=O)N)N)C(=O)O)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C24H31N7O9/c25-15(8-10-17(32)33)22(37)31(21(36)13-5-2-1-3-6-13)16(23(38)39)9-11-18(34)40-28-12-4-7-14-19(26)29-24(27)30-20(14)35/h1-3,5-6,15-16,28H,4,7-12,25H2,(H,32,33)(H,38,39)(H5,26,27,29,30,35)