3-[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)benzothiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(2-ethylphenyl)-1-benzothiophene-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(2-ethylphenyl)benzothiophene-2-carbonyl]amino]propionic acid Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26N2O5S/c1-2-19-11-6-7-12-20(19)21-13-8-14-24-22(21)15-25(36-24)26(31)29-16-23(27(32)33)30-28(34)35-17-18-9-4-3-5-10-18/h3-15,23H,2,16-17H2,1H3,(H,29,31)(H,30,34)(H,32,33)