N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(E,3S)-1-phenethylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[(2S)-3-naphthalen-2-yl-1-oxidanylidene-1-[[(E,3S)-1-phenethylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1S)-1-(2-naphthylmethyl)-2-oxo-2-[[(E,1S)-1-phenethyl-3-phenethylsulfonyl-allyl]amino]ethyl]morpholine-4-carboxamide CAS Name: N-[(2S)-3-(2-naphthalenyl)-1-oxo-1-[[(E,3S)-1-phenethylsulfonyl-5-phenylpent-1-en-3-yl]amino]propan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2S)-3-naphthalen-2-yl-1-oxo-1-[[(E,3S)-1-phenethylsulfonyl-5-phenylpent-1-en-3-yl]amino]propan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-(2-naphthylmethyl)-2-[[(E,1S)-1-phenethyl-3-phenethylsulfonyl-allyl]amino]ethyl]morpholine-4-carboxamide Formula: C37H41N3O5S MolecularWeight: 639.80354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCC4=CC=CC=C4)C=CS(=O)(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CCC4=CC=CC=C4)/C=C/S(=O)(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C37H41N3O5S/c41-36(35(39-37(42)40-21-23-45-24-22-40)28-31-15-17-32-13-7-8-14-33(32)27-31)38-34(18-16-29-9-3-1-4-10-29)20-26-46(43,44)25-19-30-11-5-2-6-12-30/h1-15,17,20,26-27,34-35H,16,18-19,21-25,28H2,(H,38,41)(H,39,42)/b26-20+/t34-,35-/m0/s1