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

Systemtic Name: N-[(2S)-3-naphthalen-2-yl-1-[[(E,3S)-1-naphthalen-2-ylsulfonyl-5-phenyl-pent-1-en-3-yl]amino]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1S)-1-(2-naphthylmethyl)-2-[[(E,1S)-3-(2-naphthylsulfonyl)-1-phenethyl-allyl]amino]-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[(2S)-3-(2-naphthalenyl)-1-[[(E,3S)-1-(2-naphthalenylsulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2S)-3-naphthalen-2-yl-1-[[(E,3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-(2-naphthylmethyl)-2-[[(E,1S)-3-(2-naphthylsulfonyl)-1-phenethyl-allyl]amino]ethyl]morpholine-4-carboxamide Formula: C39H39N3O5S MolecularWeight: 661.80906

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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)C5=CC6=CC=CC=C6C=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)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C39H39N3O5S/c43-38(37(41-39(44)42-21-23-47-24-22-42)27-30-14-16-31-10-4-6-12-33(31)26-30)40-35(18-15-29-8-2-1-3-9-29)20-25-48(45,46)36-19-17-32-11-5-7-13-34(32)28-36/h1-14,16-17,19-20,25-26,28,35,37H,15,18,21-24,27H2,(H,40,43)(H,41,44)/b25-20+/t35-,37-/m0/s1