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

Systemtic Name: (2R,3R,4S)-3-acetamido-4-[bis(azanyl)methylideneamino]-2-[(1R,2R)-3-heptanoyloxy-1-methoxy-2-oxidanyl-propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-4-guanidino-2-[(1R,2R)-3-heptanoyloxy-2-hydroxy-1-methoxy-propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-(1-oxoheptoxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-3-heptanoyloxy-2-hydroxy-1-methoxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-2-[(1R,2R)-3-enanthyloxy-2-hydroxy-1-methoxy-propyl]-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C20H34N4O8 MolecularWeight: 458.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O

Isomeric SMILES

CCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O

InChI

InChI=1S/C20H34N4O8/c1-4-5-6-7-8-15(27)31-10-13(26)17(30-3)18-16(23-11(2)25)12(24-20(21)22)9-14(32-18)19(28)29/h9,12-13,16-18,26H,4-8,10H2,1-3H3,(H,23,25)(H,28,29)(H4,21,22,24)/t12-,13+,16+,17+,18+/m0/s1