2-[(2-ethoxycarbonyl-4-phenyl-butyl)-(2-methylpropylcarbamoyl)amino]propanoic acid

Systemtic Name: 2-[(2-ethoxycarbonyl-4-phenyl-butyl)-(2-methylpropylcarbamoyl)amino]propanoic acid Openeye Name: 2-[(2-ethoxycarbonyl-4-phenyl-butyl)-(isobutylcarbamoyl)amino]propanoic acid CAS Name: 2-[(2-ethoxycarbonyl-4-phenylbutyl)-[(2-methylpropylamino)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2-ethoxycarbonyl-4-phenylbutyl)-(2-methylpropylcarbamoyl)amino]propanoic acid Traditional Name: 2-[(2-carbethoxy-4-phenyl-butyl)-(isobutylcarbamoyl)amino]propionic acid Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CN(C(C)C(=O)O)C(=O)NCC(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CN(C(C)C(=O)O)C(=O)NCC(C)C

InChI

InChI=1S/C21H32N2O5/c1-5-28-20(26)18(12-11-17-9-7-6-8-10-17)14-23(16(4)19(24)25)21(27)22-13-15(2)3/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,22,27)(H,24,25)