(2S)-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(m-tolyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(3-methylphenyl)-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-keto-5-[4-(m-tolyl)piperazino]valeric acid Formula: C24H29N3O5 MolecularWeight: 439.50416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c1-18-6-5-9-20(16-18)26-12-14-27(15-13-26)22(28)11-10-21(23(29)30)25-24(31)32-17-19-7-3-2-4-8-19/h2-9,16,21H,10-15,17H2,1H3,(H,25,31)(H,29,30)/t21-/m0/s1