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

Systemtic Name: (2S,3S)-3-[[(3S)-3-azanyl-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid Openeye Name: (2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid CAS Name: (2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-6-(2,4-dioxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid IUPAC Name: (2S,3S)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(2,4-dioxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Traditional Name: (2S,3S)-3-[[(3S)-5-[amidino(methyl)amino]-3-amino-pentanoyl]amino]-6-(2,4-diketopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid Formula: C17H25N7O6 MolecularWeight: 423.4237

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=O)NC2=O)N)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)/t9-,10-,13?,14-/m0/s1