methyl N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]amino]-3-butylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: methyl N-[(2S)-1-[[(2S,3R)-1-[3,5-bis(fluoranyl)phenyl]-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]amino]-3-butylsulfonyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-(isopentylamino)propyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-3-butylsulfonyl-1-[[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(butylsulfonylmethyl)-2-[[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-(isoamylamino)propyl]amino]-2-keto-ethyl]carbamic acid methyl ester Formula: C24H39F2N3O6S MolecularWeight: 535.644766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNCCC(C)C)O)NC(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNCCC(C)C)O)NC(=O)OC

InChI

InChI=1S/C24H39F2N3O6S/c1-5-6-9-36(33,34)15-21(29-24(32)35-4)23(31)28-20(22(30)14-27-8-7-16(2)3)12-17-10-18(25)13-19(26)11-17/h10-11,13,16,20-22,27,30H,5-9,12,14-15H2,1-4H3,(H,28,31)(H,29,32)/t20-,21+,22+/m0/s1