(2S,4R)-N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[(2S)-6-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-hexan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-acetyl-N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-acetyl-N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-acetyl-N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-acetyl-N-[(1S)-5-amino-1-(1,3-benzothiazole-2-carbonyl)pentyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC(CCCCN)C(=O)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C20H26N4O4S/c1-12(25)24-11-13(26)10-16(24)19(28)22-15(7-4-5-9-21)18(27)20-23-14-6-2-3-8-17(14)29-20/h2-3,6,8,13,15-16,26H,4-5,7,9-11,21H2,1H3,(H,22,28)/t13-,15+,16+/m1/s1