4-carboxy-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenyl-hexanoate

Systemtic Name: 4-carboxy-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenyl-hexanoate Openeye Name: 4-carboxy-2-(isobutylcarbamoylamino)-2-(2-naphthylmethyl)-6-phenyl-hexanoate CAS Name: 4-carboxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-(2-naphthalenylmethyl)-6-phenylhexanoate IUPAC Name: 4-carboxy-2-(2-methylpropylcarbamoylamino)-2-(naphthalen-2-ylmethyl)-6-phenylhexanoate Traditional Name: 4-carboxy-2-(isobutylcarbamoylamino)-2-(2-naphthylmethyl)-6-phenyl-hexanoate Formula: C29H33N2O5- MolecularWeight: 489.58272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC1=CC2=CC=CC=C2C=C1)(CC(CCC3=CC=CC=C3)C(=O)O)C(=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(CC1=CC2=CC=CC=C2C=C1)(CC(CCC3=CC=CC=C3)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C29H34N2O5/c1-20(2)19-30-28(36)31-29(27(34)35,17-22-13-14-23-10-6-7-11-24(23)16-22)18-25(26(32)33)15-12-21-8-4-3-5-9-21/h3-11,13-14,16,20,25H,12,15,17-19H2,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/p-1