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

Systemtic Name: 6-[4-azanyl-5-(hydroxymethyl)-2-oxidanylidene-pyrimidin-1-yl]-3-[[3-[(2-azanyl-4-methyl-pentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid Openeye Name: 6-[4-amino-5-(hydroxymethyl)-2-oxo-pyrimidin-1-yl]-3-[[3-[(2-amino-4-methyl-pentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid CAS Name: 6-[4-amino-5-(hydroxymethyl)-2-oxo-1-pyrimidinyl]-3-[[3-[(2-amino-4-methyl-1-oxopentyl)amino]-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid IUPAC Name: 6-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-[[3-[(2-amino-4-methylpentanoyl)amino]-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylic acid Traditional Name: 3-[[5-[amidino(methyl)amino]-3-[(2-amino-4-methyl-pentanoyl)amino]pentanoyl]amino]-6-(4-amino-2-keto-5-methylol-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Formula: C24H39N9O7 MolecularWeight: 565.62256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCN(C)C(=N)N)CC(=O)NC1C=CC(OC1C(=O)O)N2C=C(C(=NC2=O)N)CO)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCN(C)C(=N)N)CC(=O)NC1C=CC(OC1C(=O)O)N2C=C(C(=NC2=O)N)CO)N

InChI

InChI=1S/C24H39N9O7/c1-12(2)8-15(25)21(36)29-14(6-7-32(3)23(27)28)9-17(35)30-16-4-5-18(40-19(16)22(37)38)33-10-13(11-34)20(26)31-24(33)39/h4-5,10,12,14-16,18-19,34H,6-9,11,25H2,1-3H3,(H3,27,28)(H,29,36)(H,30,35)(H,37,38)(H2,26,31,39)