(2S)-2-[butyl(phenylmethoxycarbonyl)amino]-3-(4-methoxycarbonylphenyl)propanoic acid

Systemtic Name: (2S)-2-[butyl(phenylmethoxycarbonyl)amino]-3-(4-methoxycarbonylphenyl)propanoic acid Openeye Name: (2S)-2-[benzyloxycarbonyl(butyl)amino]-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: (2S)-2-[butyl(phenylmethoxycarbonyl)amino]-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: (2S)-2-[butyl(phenylmethoxycarbonyl)amino]-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: (2S)-2-[butyl(carbobenzoxy)amino]-3-(4-carbomethoxyphenyl)propionic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CC1=CC=C(C=C1)C(=O)OC)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCN([C@@H](CC1=CC=C(C=C1)C(=O)OC)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H27NO6/c1-3-4-14-24(23(28)30-16-18-8-6-5-7-9-18)20(21(25)26)15-17-10-12-19(13-11-17)22(27)29-2/h5-13,20H,3-4,14-16H2,1-2H3,(H,25,26)/t20-/m0/s1