4-(2-methylpropylcarbamoylamino)-4-naphthalen-2-yl-2-phenethyl-hexanedioic acid

Systemtic Name: 4-(2-methylpropylcarbamoylamino)-4-naphthalen-2-yl-2-phenethyl-hexanedioic acid Openeye Name: 4-(isobutylcarbamoylamino)-4-(2-naphthyl)-2-phenethyl-hexanedioic acid CAS Name: 4-[[(2-methylpropylamino)-oxomethyl]amino]-4-(2-naphthalenyl)-2-phenethylhexanedioic acid IUPAC Name: 4-(2-methylpropylcarbamoylamino)-4-naphthalen-2-yl-2-phenethylhexanedioic acid Traditional Name: 4-(isobutylcarbamoylamino)-4-(2-naphthyl)-2-phenethyl-adipic acid Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC(CCC1=CC=CC=C1)C(=O)O)(CC(=O)O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CNC(=O)NC(CC(CCC1=CC=CC=C1)C(=O)O)(CC(=O)O)C2=CC3=CC=CC=C3C=C2

InChI

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