3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonyl-amino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[cyclopropylmethyl-[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[cyclopropylmethyl-[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[cyclopropylmethyl-[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C28H32N6O5S MolecularWeight: 564.65588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC1CN(CC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H32N6O5S/c35-26(22-9-11-23(12-10-22)32-15-17-33(18-16-32)28-29-13-4-14-30-28)34(19-21-7-8-21)20-25(27(36)37)31-40(38,39)24-5-2-1-3-6-24/h1-6,9-14,21,25,31H,7-8,15-20H2,(H,36,37)