N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: N-[(1S)-2-[[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]amino]-2-oxo-1-(1-propylbutylsulfonylmethyl)ethyl]benzamide CAS Name: N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide Traditional Name: N-[(1S)-2-[[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]amino]-2-keto-1-(1-propylbutylsulfonylmethyl)ethyl]benzamide Formula: C36H47F2N3O5S MolecularWeight: 671.837286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCC2=CC=CC(=C2)CC)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C36H47F2N3O5S/c1-4-11-31(12-5-2)47(45,46)24-33(41-35(43)28-15-8-7-9-16-28)36(44)40-32(20-27-18-29(37)21-30(38)19-27)34(42)23-39-22-26-14-10-13-25(6-3)17-26/h7-10,13-19,21,31-34,39,42H,4-6,11-12,20,22-24H2,1-3H3,(H,40,44)(H,41,43)/t32-,33+,34+/m0/s1