(2S)-2-(phenylsulfonylamino)-3-(5-piperazin-1-ylpentanoylamino)propanoic acid

Systemtic Name: (2S)-2-(phenylsulfonylamino)-3-(5-piperazin-1-ylpentanoylamino)propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-(5-piperazin-1-ylpentanoylamino)propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-[[1-oxo-5-(1-piperazinyl)pentyl]amino]propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-(5-piperazin-1-ylpentanoylamino)propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-(5-piperazinopentanoylamino)propionic acid Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1)CCCCC(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O5S/c23-17(8-4-5-11-22-12-9-19-10-13-22)20-14-16(18(24)25)21-28(26,27)15-6-2-1-3-7-15/h1-3,6-7,16,19,21H,4-5,8-14H2,(H,20,23)(H,24,25)/t16-/m0/s1