2-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methoxy]-3-methyl-2-[3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propylamino]butanoic acid

Systemtic Name: 2-[(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)methoxy]-3-methyl-2-[3-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propylamino]butanoic acid Openeye Name: 2-[(4-amino-2-oxo-pyrimidin-1-yl)methoxy]-2-[3-[(1-carboxy-2-methyl-propyl)amino]propylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-amino-2-oxo-1-pyrimidinyl)methoxy]-2-[3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]propylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-2-[3-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]propylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-amino-2-keto-pyrimidin-1-yl)methoxy]-2-[3-[(1-carboxy-2-methyl-propyl)amino]propylamino]-3-methyl-butyric acid Formula: C18H31N5O6 MolecularWeight: 413.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCCCNC(C(C)C)(C(=O)O)OCN1C=CC(=NC1=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NCCCNC(C(C)C)(C(=O)O)OCN1C=CC(=NC1=O)N

InChI

InChI=1S/C18H31N5O6/c1-11(2)14(15(24)25)20-7-5-8-21-18(12(3)4,16(26)27)29-10-23-9-6-13(19)22-17(23)28/h6,9,11-12,14,20-21H,5,7-8,10H2,1-4H3,(H,24,25)(H,26,27)(H2,19,22,28)