1-[(5S)-5-(hexanoylamino)-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5S)-5-(hexanoylamino)-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5S)-5-(hexanoylamino)-4-oxo-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5S)-1,4-dioxo-5-(1-oxohexylamino)-6-phenylhexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5S)-5-(hexanoylamino)-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5S)-5-(caproylamino)-4-keto-6-phenyl-hexanoyl]proline Formula: C23H32N2O5 MolecularWeight: 416.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)CCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C23H32N2O5/c1-2-3-5-12-21(27)24-18(16-17-9-6-4-7-10-17)20(26)13-14-22(28)25-15-8-11-19(25)23(29)30/h4,6-7,9-10,18-19H,2-3,5,8,11-16H2,1H3,(H,24,27)(H,29,30)/t18-,19?/m0/s1