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

Systemtic Name: (2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(1R,2R)-2,3-bis(oxidanyl)-1-phenethyloxy-propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-2,3-dihydroxy-1-phenethyloxy-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-phenethyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2,3-dihydroxy-1-phenethyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-2,3-dihydroxy-1-phenethyloxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C=C(OC1C(C(CO)O)OCCC2=CC=CC=C2)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]([C@@H](CO)O)OCCC2=CC=CC=C2)C(=O)O)N=C(N)N

InChI

InChI=1S/C20H28N4O7/c1-11(26)23-16-13(24-20(21)22)9-15(19(28)29)31-18(16)17(14(27)10-25)30-8-7-12-5-3-2-4-6-12/h2-6,9,13-14,16-18,25,27H,7-8,10H2,1H3,(H,23,26)(H,28,29)(H4,21,22,24)/t13-,14+,16+,17+,18+/m0/s1