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

Systemtic Name: 3-acetamido-4-azanyl-2-(6-phenylhexan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-4-amino-2-[(1-ethyl-4-phenyl-butyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-4-amino-2-[oxo-(6-phenylhexan-3-ylamino)methyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-4-amino-2-(6-phenylhexan-3-ylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-amino-2-[(1-ethyl-4-phenyl-butyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1=CC=CC=C1)NC(=O)C2C(C(C=C(O2)C(=O)O)N)NC(=O)C

Isomeric SMILES

CCC(CCCC1=CC=CC=C1)NC(=O)C2C(C(C=C(O2)C(=O)O)N)NC(=O)C

InChI

InChI=1S/C21H29N3O5/c1-3-15(11-7-10-14-8-5-4-6-9-14)24-20(26)19-18(23-13(2)25)16(22)12-17(29-19)21(27)28/h4-6,8-9,12,15-16,18-19H,3,7,10-11,22H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)