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

Systemtic Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-(2-acetamidoethoxy)-2,3-bis(oxidanyl)propyl]-4-[bis(azanyl)methylideneamino]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-(2-acetamidoethoxy)-2,3-dihydroxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-(2-acetamidoethoxy)-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-(2-acetamidoethoxy)-2,3-dihydroxypropyl]-4-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-1-(2-acetamidoethoxy)-2,3-dihydroxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C16H27N5O8 MolecularWeight: 417.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)C(CO)O

Isomeric SMILES

CC(=O)NCCO[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/C16H27N5O8/c1-7(23)19-3-4-28-13(10(25)6-22)14-12(20-8(2)24)9(21-16(17)18)5-11(29-14)15(26)27/h5,9-10,12-14,22,25H,3-4,6H2,1-2H3,(H,19,23)(H,20,24)(H,26,27)(H4,17,18,21)/t9-,10+,12+,13+,14+/m0/s1