3-[[[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]phenyl]carbonylamino]-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: 3-[[[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]phenyl]carbonylamino]-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: 3-[[[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoyl]amino]-benzyloxycarbonyl-amino]propanoic acid CAS Name: 3-[[[[4-[4-(1H-benzimidazol-2-yl)-1-piperazinyl]phenyl]-oxomethyl]amino]-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: 3-[[[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoyl]amino]-phenylmethoxycarbonylamino]propanoic acid Traditional Name: 3-[[[4-[4-(1H-benzimidazol-2-yl)piperazino]benzoyl]amino]-carbobenzoxy-amino]propionic acid Formula: C29H30N6O5 MolecularWeight: 542.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NN(CCC(=O)O)C(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NN(CCC(=O)O)C(=O)OCC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H30N6O5/c36-26(37)14-15-35(29(39)40-20-21-6-2-1-3-7-21)32-27(38)22-10-12-23(13-11-22)33-16-18-34(19-17-33)28-30-24-8-4-5-9-25(24)31-28/h1-13H,14-20H2,(H,30,31)(H,32,38)(H,36,37)