3-[[4-(2-aminophenyl)-1-ethoxy-6-(1-phenylmethoxycarbonylpiperidin-4-yl)-1-sulfanylidene-hexan-2-yl]amino]propanoic acid

Systemtic Name: 3-[[4-(2-aminophenyl)-1-ethoxy-6-(1-phenylmethoxycarbonylpiperidin-4-yl)-1-sulfanylidene-hexan-2-yl]amino]propanoic acid Openeye Name: 3-[[3-(2-aminophenyl)-5-(1-benzyloxycarbonyl-4-piperidyl)-1-ethoxycarbothioyl-pentyl]amino]propanoic acid CAS Name: 3-[[4-(2-aminophenyl)-1-ethoxy-6-(1-phenylmethoxycarbonyl-4-piperidinyl)-1-sulfanylidenehexan-2-yl]amino]propanoic acid IUPAC Name: 3-[[4-(2-aminophenyl)-1-ethoxy-6-(1-phenylmethoxycarbonylpiperidin-4-yl)-1-sulfanylidenehexan-2-yl]amino]propanoic acid Traditional Name: 3-[[3-(2-aminophenyl)-5-(1-carbobenzoxy-4-piperidyl)-1-ethoxycarbothioyl-pentyl]amino]propionic acid Formula: C30H41N3O5S MolecularWeight: 555.72864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C(CC(CCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3N)NCCC(=O)O

Isomeric SMILES

CCOC(=S)C(CC(CCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C3=CC=CC=C3N)NCCC(=O)O

InChI

InChI=1S/C30H41N3O5S/c1-2-37-29(39)27(32-17-14-28(34)35)20-24(25-10-6-7-11-26(25)31)13-12-22-15-18-33(19-16-22)30(36)38-21-23-8-4-3-5-9-23/h3-11,22,24,27,32H,2,12-21,31H2,1H3,(H,34,35)