3-(1,3-benzodioxol-5-yl)-3-[[1-oxidanylidene-1-(4-phenylmethoxycarbonylpiperazin-1-yl)hexan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-oxidanylidene-1-(4-phenylmethoxycarbonylpiperazin-1-yl)hexan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(4-benzyloxycarbonylpiperazine-1-carbonyl)pentylcarbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[1-oxo-1-(4-phenylmethoxycarbonyl-1-piperazinyl)hexan-2-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-oxo-1-(4-phenylmethoxycarbonylpiperazin-1-yl)hexan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(4-carbobenzoxypiperazine-1-carbonyl)pentylcarbamoylamino]propionic acid Formula: C29H36N4O8 MolecularWeight: 568.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H36N4O8/c1-2-3-9-22(27(36)32-12-14-33(15-13-32)29(38)39-18-20-7-5-4-6-8-20)30-28(37)31-23(17-26(34)35)21-10-11-24-25(16-21)41-19-40-24/h4-8,10-11,16,22-23H,2-3,9,12-15,17-19H2,1H3,(H,34,35)(H2,30,31,37)