(2S)-2-(phenylsulfonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-(phenylsulfonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-[[oxo-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazino]benzoyl]amino]propionic acid Formula: C24H30N6O5S MolecularWeight: 514.5972

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=NC1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H30N6O5S/c31-22(27-17-21(23(32)33)28-36(34,35)20-5-2-1-3-6-20)18-7-9-19(10-8-18)29-13-15-30(16-14-29)24-25-11-4-12-26-24/h1-3,5-10,21,28H,4,11-17H2,(H,25,26)(H,27,31)(H,32,33)/t21-/m0/s1