(2R,3S)-2-azanyl-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide

Systemtic Name: (2R,3S)-2-azanyl-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-2-(3-mercaptopropylamino)-3-methylpentanamide IUPAC Name: (2R,3S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-N-(1H-benzimidazol-2-ylmethyl)-2-(3-mercaptopropylamino)-3-methyl-valeramide Formula: C17H27N5OS MolecularWeight: 349.49418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCC1=NC2=CC=CC=C2N1)(N)NCCCS

InChI

InChI=1S/C17H27N5OS/c1-3-12(2)17(18,20-9-6-10-24)16(23)19-11-15-21-13-7-4-5-8-14(13)22-15/h4-5,7-8,12,20,24H,3,6,9-11,18H2,1-2H3,(H,19,23)(H,21,22)/t12-,17+/m0/s1