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

Systemtic Name: S-(oxolan-3-yl) N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-[(3-ethylphenyl)methylamino]-3-oxidanyl-butan-2-yl]amino]-3-butylsulfonyl-1-oxidanylidene-propan-2-yl]carbamothioate Openeye Name: S-tetrahydrofuran-3-yl N-[(1S)-1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[(3-ethylphenyl)methylamino]-2-hydroxy-propyl]amino]-2-oxo-ethyl]carbamothioate CAS Name: N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]carbamothioic acid S-(3-oxolanyl) ester IUPAC Name: S-(oxolan-3-yl) N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-1-oxopropan-2-yl]carbamothioate Traditional Name: N-[(1S)-1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxy-propyl]amino]-2-keto-ethyl]thiocarbamic acid S-tetrahydrofuran-3-yl ester Formula: C31H43F2N3O6S2 MolecularWeight: 655.816426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCC2=CC=CC(=C2)CC)O)NC(=O)SC3CCOC3

Isomeric SMILES

CCCCS(=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)SC3CCOC3

InChI

InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1