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

Systemtic Name: (2R,3S)-2-azanyl-3-methyl-N-(3-phenylpropyl)-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-3-methyl-N-(3-phenylpropyl)-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-(3-phenylpropyl)pentanamide IUPAC Name: (2R,3S)-2-amino-3-methyl-N-(3-phenylpropyl)-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-2-(3-mercaptopropylamino)-3-methyl-N-(3-phenylpropyl)valeramide Formula: C18H31N3OS MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCCC1=CC=CC=C1)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCCCC1=CC=CC=C1)(N)NCCCS

InChI

InChI=1S/C18H31N3OS/c1-3-15(2)18(19,21-13-8-14-23)17(22)20-12-7-11-16-9-5-4-6-10-16/h4-6,9-10,15,21,23H,3,7-8,11-14,19H2,1-2H3,(H,20,22)/t15-,18+/m0/s1