(2S)-2-azanyl-N-[(E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-N-[(E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]pentanamide Openeye Name: (2S)-2-amino-N-[(E,1S)-3-(benzenesulfonyl)-1-phenethyl-allyl]pentanamide CAS Name: (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]pentanamide IUPAC Name: (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]pentanamide Traditional Name: (2S)-2-amino-N-[(E,1S)-3-besyl-1-phenethyl-allyl]valeramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCC1=CC=CC=C1)C=CS(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)/C=C/S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C22H28N2O3S/c1-2-9-21(23)22(25)24-19(15-14-18-10-5-3-6-11-18)16-17-28(26,27)20-12-7-4-8-13-20/h3-8,10-13,16-17,19,21H,2,9,14-15,23H2,1H3,(H,24,25)/b17-16+/t19-,21-/m0/s1