4-azanyl-2-[1-phenylethyl(propyl)carbamoyl]-3-(propanoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 4-azanyl-2-[1-phenylethyl(propyl)carbamoyl]-3-(propanoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 4-amino-2-[1-phenylethyl(propyl)carbamoyl]-3-(propanoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 4-amino-2-[oxo-[1-phenylethyl(propyl)amino]methyl]-3-(1-oxopropylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 4-amino-2-[1-phenylethyl(propyl)carbamoyl]-3-(propanoylamino)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 4-amino-2-[1-phenylethyl(propyl)carbamoyl]-3-propionamido-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C1=CC=CC=C1)C(=O)C2C(C(C=C(O2)C(=O)O)N)NC(=O)CC

Isomeric SMILES

CCCN(C(C)C1=CC=CC=C1)C(=O)C2C(C(C=C(O2)C(=O)O)N)NC(=O)CC

InChI

InChI=1S/C21H29N3O5/c1-4-11-24(13(3)14-9-7-6-8-10-14)20(26)19-18(23-17(25)5-2)15(22)12-16(29-19)21(27)28/h6-10,12-13,15,18-19H,4-5,11,22H2,1-3H3,(H,23,25)(H,27,28)