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

Systemtic Name: 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(dibutylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(dibutylcarbamoyl)-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-(diaminomethylideneamino)-2-[(dibutylamino)-oxomethyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-(diaminomethylideneamino)-2-(dibutylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(dibutylcarbamoyl)-4-guanidino-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H31N5O5 MolecularWeight: 397.46924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C

Isomeric SMILES

CCCCN(CCCC)C(=O)C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C

InChI

InChI=1S/C18H31N5O5/c1-4-6-8-23(9-7-5-2)16(25)15-14(21-11(3)24)12(22-18(19)20)10-13(28-15)17(26)27/h10,12,14-15H,4-9H2,1-3H3,(H,21,24)(H,26,27)(H4,19,20,22)