(2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(1R,2R)-1-octoxy-2,3-bis(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(1R,2R)-1-octoxy-2,3-bis(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-2,3-dihydroxy-1-octoxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-octoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-octoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-2,3-dihydroxy-1-octoxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C20H36N4O7 MolecularWeight: 444.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)C(CO)O

Isomeric SMILES

CCCCCCCCO[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O

InChI

InChI=1S/C20H36N4O7/c1-3-4-5-6-7-8-9-30-17(14(27)11-25)18-16(23-12(2)26)13(24-20(21)22)10-15(31-18)19(28)29/h10,13-14,16-18,25,27H,3-9,11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t13-,14+,16+,17+,18+/m0/s1