N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide

Systemtic Name: N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide Openeye Name: N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide CAS Name: N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-(1-oxo-3-phenylpropyl)-3-piperidinecarboxamide IUPAC Name: N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide Traditional Name: N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]-1-hydrocinnamoyl-nipecotamide Formula: C28H34N4O3S MolecularWeight: 506.65956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H34N4O3S/c29-17-7-6-13-23(26(34)28-31-22-12-4-5-14-24(22)36-28)30-27(35)21-11-8-18-32(19-21)25(33)16-15-20-9-2-1-3-10-20/h1-5,9-10,12,14,21,23H,6-8,11,13,15-19,29H2,(H,30,35)/t21?,23-/m0/s1