(2R,3S)-2-azanyl-N-[(4-methoxyphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide

Systemtic Name: (2R,3S)-2-azanyl-N-[(4-methoxyphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-N-[(4-methoxyphenyl)methyl]-3-methylpentanamide IUPAC Name: (2R,3S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-p-anisyl-valeramide Formula: C17H29N3O2S MolecularWeight: 339.49606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)OC)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCC1=CC=C(C=C1)OC)(N)NCCCS

InChI

InChI=1S/C17H29N3O2S/c1-4-13(2)17(18,20-10-5-11-23)16(21)19-12-14-6-8-15(22-3)9-7-14/h6-9,13,20,23H,4-5,10-12,18H2,1-3H3,(H,19,21)/t13-,17+/m0/s1