(2S)-2-[2-(3-aminophenyl)ethanoylamino]-3-(4-pentoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[2-(3-aminophenyl)ethanoylamino]-3-(4-pentoxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-(3-aminophenyl)acetyl]amino]-3-(4-pentoxyphenyl)propanoic acid CAS Name: (2S)-2-[[2-(3-aminophenyl)-1-oxoethyl]amino]-3-(4-pentoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[2-(3-aminophenyl)acetyl]amino]-3-(4-pentoxyphenyl)propanoic acid Traditional Name: (2S)-2-[[2-(3-aminophenyl)acetyl]amino]-3-(4-amoxyphenyl)propionic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC2=CC(=CC=C2)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC2=CC(=CC=C2)N

InChI

InChI=1S/C22H28N2O4/c1-2-3-4-12-28-19-10-8-16(9-11-19)14-20(22(26)27)24-21(25)15-17-6-5-7-18(23)13-17/h5-11,13,20H,2-4,12,14-15,23H2,1H3,(H,24,25)(H,26,27)/t20-/m0/s1