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

Systemtic Name: (2R,3S)-2-azanyl-3-methyl-N-(phenylmethyl)-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-N-benzyl-3-methyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: (2R,3S)-2-amino-N-benzyl-3-methyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-N-benzyl-2-(3-mercaptopropylamino)-3-methyl-valeramide Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3OS/c1-3-13(2)16(17,19-10-7-11-21)15(20)18-12-14-8-5-4-6-9-14/h4-6,8-9,13,19,21H,3,7,10-12,17H2,1-2H3,(H,18,20)/t13-,16+/m0/s1