3-acetamido-4-[bis(azanyl)methylideneamino]-2-(undecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(undecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-guanidino-2-(undecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-(diaminomethylideneamino)-2-[oxo-(undecylamino)methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-(diaminomethylideneamino)-2-(undecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-guanidino-2-(undecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H37N5O5 MolecularWeight: 439.54898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=O)C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCNC(=O)C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C

InChI

InChI=1S/C21H37N5O5/c1-3-4-5-6-7-8-9-10-11-12-24-19(28)18-17(25-14(2)27)15(26-21(22)23)13-16(31-18)20(29)30/h13,15,17-18H,3-12H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H4,22,23,26)