(2R,3S)-2-azanyl-3-methyl-N-phenethyl-2-(3-sulfanylpropylamino)pentanamide

Systemtic Name: (2R,3S)-2-azanyl-3-methyl-N-phenethyl-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-3-methyl-N-phenethyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-phenethylpentanamide IUPAC Name: (2R,3S)-2-amino-3-methyl-N-phenethyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-phenethyl-valeramide Formula: C17H29N3OS MolecularWeight: 323.49666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCCC1=CC=CC=C1)(N)NCCCS

InChI

InChI=1S/C17H29N3OS/c1-3-14(2)17(18,20-11-7-13-22)16(21)19-12-10-15-8-5-4-6-9-15/h4-6,8-9,14,20,22H,3,7,10-13,18H2,1-2H3,(H,19,21)/t14-,17+/m0/s1