(2S,3S,6R)-3-[[2-azanyl-5-[(2-azanyl-2-azanylidene-ethyl)amino]-3-methyl-pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

Systemtic Name: (2S,3S,6R)-3-[[2-azanyl-5-[(2-azanyl-2-azanylidene-ethyl)amino]-3-methyl-pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Openeye Name: (2S,3S,6R)-3-[[2-amino-5-[(2-amino-2-imino-ethyl)amino]-3-methyl-pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid CAS Name: (2S,3S,6R)-3-[[2-amino-5-[(2-amino-2-iminoethyl)amino]-3-methyl-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid IUPAC Name: (2S,3S,6R)-3-[[2-amino-5-[(2-amino-2-iminoethyl)amino]-3-methylpentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Traditional Name: (2S,3S,6R)-3-[[2-amino-5-[(2-amino-2-imino-ethyl)amino]-3-methyl-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Formula: C18H28N8O5 MolecularWeight: 436.46552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC(=N)N)C(C(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N

Isomeric SMILES

CC(CCNCC(=N)N)C(C(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N

InChI

InChI=1S/C18H28N8O5/c1-9(4-6-23-8-11(19)20)14(22)16(27)24-10-2-3-13(31-15(10)17(28)29)26-7-5-12(21)25-18(26)30/h2-3,5,7,9-10,13-15,23H,4,6,8,22H2,1H3,(H3,19,20)(H,24,27)(H,28,29)(H2,21,25,30)/t9?,10-,13+,14?,15-/m0/s1