(phenylmethyl) (4R)-5-oxidanylidene-5-[pent-4-enyl(pentyl)amino]-4-(quinolin-3-ylcarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) (4R)-5-oxidanylidene-5-[pent-4-enyl(pentyl)amino]-4-(quinolin-3-ylcarbonylamino)pentanoate Openeye Name: benzyl (4R)-5-oxo-5-[pent-4-enyl(pentyl)amino]-4-(quinoline-3-carbonylamino)pentanoate CAS Name: (4R)-5-oxo-4-[[oxo(3-quinolinyl)methyl]amino]-5-[pent-4-enyl(pentyl)amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-5-oxo-5-[pent-4-enyl(pentyl)amino]-4-(quinoline-3-carbonylamino)pentanoate Traditional Name: (4R)-5-[amyl(pent-4-enyl)amino]-5-keto-4-(quinoline-3-carbonylamino)valeric acid benzyl ester Formula: C32H39N3O4 MolecularWeight: 529.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCC=C)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCCCCN(CCCC=C)C(=O)[C@@H](CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C32H39N3O4/c1-3-5-12-20-35(21-13-6-4-2)32(38)29(18-19-30(36)39-24-25-14-8-7-9-15-25)34-31(37)27-22-26-16-10-11-17-28(26)33-23-27/h3,7-11,14-17,22-23,29H,1,4-6,12-13,18-21,24H2,2H3,(H,34,37)/t29-/m1/s1