(phenylmethyl) 4-oxidanylidene-4-[6-[(5S)-2-oxidanylidene-5-pyridin-3-yl-pyrrolidin-1-yl]hexylamino]butanoate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-4-[6-[(5S)-2-oxidanylidene-5-pyridin-3-yl-pyrrolidin-1-yl]hexylamino]butanoate Openeye Name: benzyl 4-oxo-4-[6-[(5S)-2-oxo-5-(3-pyridyl)pyrrolidin-1-yl]hexylamino]butanoate CAS Name: 4-oxo-4-[6-[(5S)-2-oxo-5-(3-pyridinyl)-1-pyrrolidinyl]hexylamino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-4-[6-[(5S)-2-oxo-5-pyridin-3-ylpyrrolidin-1-yl]hexylamino]butanoate Traditional Name: 4-keto-4-[6-[(5S)-2-keto-5-(3-pyridyl)pyrrolidino]hexylamino]butyric acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C2=CN=CC=C2)CCCCCCNC(=O)CCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N([C@@H]1C2=CN=CC=C2)CCCCCCNC(=O)CCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c30-24(13-15-26(32)33-20-21-9-4-3-5-10-21)28-17-6-1-2-7-18-29-23(12-14-25(29)31)22-11-8-16-27-19-22/h3-5,8-11,16,19,23H,1-2,6-7,12-15,17-18,20H2,(H,28,30)/t23-/m0/s1