3-acetamido-4-azanyl-2-(dodecan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-4-azanyl-2-(dodecan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-amino-2-(1-ethyldecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-amino-2-[(dodecan-3-ylamino)-oxomethyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-amino-2-(dodecan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-amino-2-(1-ethyldecylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H37N3O5 MolecularWeight: 411.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)NC(=O)C1C(C(C=C(O1)C(=O)O)N)NC(=O)C

Isomeric SMILES

CCCCCCCCCC(CC)NC(=O)C1C(C(C=C(O1)C(=O)O)N)NC(=O)C

InChI

InChI=1S/C21H37N3O5/c1-4-6-7-8-9-10-11-12-15(5-2)24-20(26)19-18(23-14(3)25)16(22)13-17(29-19)21(27)28/h13,15-16,18-19H,4-12,22H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)