2-(2-acetamidoethoxycarbonyl)-2-(2-methylpropylcarbamoylamino)-3-(4-naphthalen-2-ylphenyl)-5-oxidanyl-pentanoic acid

Systemtic Name: 2-(2-acetamidoethoxycarbonyl)-2-(2-methylpropylcarbamoylamino)-3-(4-naphthalen-2-ylphenyl)-5-oxidanyl-pentanoic acid Openeye Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(isobutylcarbamoylamino)-3-[4-(2-naphthyl)phenyl]pentanoic acid CAS Name: 2-[2-acetamidoethoxy(oxo)methyl]-5-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-3-[4-(2-naphthalenyl)phenyl]pentanoic acid IUPAC Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(2-methylpropylcarbamoylamino)-3-(4-naphthalen-2-ylphenyl)pentanoic acid Traditional Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(isobutylcarbamoylamino)-3-[4-(2-naphthyl)phenyl]valeric acid Formula: C31H37N3O7 MolecularWeight: 563.64138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O7/c1-20(2)19-33-30(40)34-31(28(37)38,29(39)41-17-15-32-21(3)36)27(14-16-35)24-11-8-23(9-12-24)26-13-10-22-6-4-5-7-25(22)18-26/h4-13,18,20,27,35H,14-17,19H2,1-3H3,(H,32,36)(H,37,38)(H2,33,34,40)