(2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(2S,4R,5S)-4,5-bis(oxidanyl)oxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(2S,4R,5S)-4,5-bis(oxidanyl)oxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-2-[(2S,4R,5S)-4,5-dihydroxytetrahydropyran-2-yl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(2S,4R,5S)-4,5-dihydroxy-2-oxanyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(2S,4R,5S)-4,5-dihydroxyoxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-2-[(2S,4R,5S)-4,5-dihydroxytetrahydropyran-2-yl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C14H22N4O7 MolecularWeight: 358.34708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C2CC(C(CO2)O)O)C(=O)O)N=C(N)N

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]2C[C@H]([C@H](CO2)O)O)C(=O)O)N=C(N)N

InChI

InChI=1S/C14H22N4O7/c1-5(19)17-11-6(18-14(15)16)2-10(13(22)23)25-12(11)9-3-7(20)8(21)4-24-9/h2,6-9,11-12,20-21H,3-4H2,1H3,(H,17,19)(H,22,23)(H4,15,16,18)/t6-,7+,8-,9-,11+,12-/m0/s1