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

Systemtic Name: 1-[(5S)-5-(octanoylamino)-4-oxidanylidene-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5S)-5-(octanoylamino)-4-oxo-6-phenyl-hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5S)-1,4-dioxo-5-(1-oxooctylamino)-6-phenylhexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5S)-5-(octanoylamino)-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5S)-5-(caprylylamino)-4-keto-6-phenyl-hexanoyl]proline Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O5/c1-2-3-4-5-9-14-23(29)26-20(18-19-11-7-6-8-12-19)22(28)15-16-24(30)27-17-10-13-21(27)25(31)32/h6-8,11-12,20-21H,2-5,9-10,13-18H2,1H3,(H,26,29)(H,31,32)/t20-,21?/m0/s1